Day: January 30, 2023

Dynamic distribution and driving mechanisms of antibiotic resistance genes in a human-intensive watershed was written by Yang, Jun;Xiang, Jinyi;Xie, Yu;Yu, Kaifeng;Gin, Karina Yew-Hoong;Zhang, Bo;He, Yiliang. And the article was included in Water Research in 2022.Formula: C11H12N4O3S This article mentions the following:

Accelerated urbanization has promoted urban watersheds as important reservoirs of antibiotic resistance genes (ARGs); yet the biogeog. patterns and driving mechanisms of ARGs at the watershed scale remain unclear. Here, we examined the dynamic distribution of ARGs in a human-intensive watershed (including city, river and lake systems) over different seasons in a temperate region, as well as revealed the key factors shaping ARGs dynamics through structural equation models (SEMs). High diversity and abundance of ARGs were detected in sediments and surface water, with aminoglycoside, beta-lactamase and multidrug resistance genes dominating. PCoA showed distinct ARGs variations between the two phases. Seasonal changes and regional functions had significant impacts on the distribution patterns of ARGs. More diverse ARGs were detected in winter, while higher ARGs abundances were observed in spring and summer. The city system showed the highest level of ARGs contamination and was mainly derived from wastewater and human/animal feces based on SourceTracker anal. and ARGs indicators. Notably, watershed restoration could significantly mitigate the ARGs pollution status and improve biodiversity in the aquatic environment. Network anal. identified several hub ARGs and bacterial genera, which helped to infer potential bacterial hosts carrying ARGs. Furthermore, ARGs indicators provided insights to trace ARGs sources. SEMs indicated that bioavailable heavy metals and nutrients can greatly shape ARGs dynamics in regions with high-intensity human activities, while the microbial community and MGEs dominate the fate of ARGs in less human-impacted regions. More attention should be given to control heavy metals and nutrients to curb the spread of ARGs. Overall, this study highlights the environmental fate of ARGs and provides novel strategies to mitigate ARGs pollution in the human-intensive watershed. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Formula: C11H12N4O3S).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) belongs to pyrimidine derivatives. The pyrimidine derivatives can easily interact with enzymes, genetic materials, and bio components within the cell. Pyrimidine derivatives have been used in a wide variety of pharmaceuticals including general anesthetics, anti-epilepsy medication, anti-malaria medication, drugs for treating high blood pressure, and HIV medication.Formula: C11H12N4O3S

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Practical Asymmetric Synthesis of a Non-Peptidic α_vβ₃ Antagonist was written by Keen, Stephen P.;Cowden, Cameron J.;Bishop, Brian C.;Brands, Karel M. J.;Davies, Antony J.;Dolling, Ulf H.;Lieberman, David R.;Stewart, Gavin W.. And the article was included in Journal of Organic Chemistry in 2005.Recommanded Product: 90905-32-1 This article mentions the following:

The development of a practical and highly convergent synthesis of an α_vβ₃ antagonist I is described. The two key fragments present in this compound, a chiral 3-aryl-5-oxopentanoic acid II and a tetrahydropyrido[2,3-b]azepine ring system III (R= Boc), were constructed independently and then coupled at a late stage using a Wittig reaction. The pyridoazepine moiety was prepared from N-Boc 6-chloro-2-aminopyridine via directed ortho-metalation/alkylation followed by in situ cyclization. A Suzuki reaction was then used to attach the propionaldehyde side-chain required for Wittig coupling. The coupling partner was prepared from asym. methanolysis of a 3-substituted glutaric anhydride followed by elaboration of the acid moiety to the requisite β-keto phosphorane. Using this route, kilogram quantities of the desired drug candidate were prepared In the experiment, the researchers used many compounds, for example, 2-Methoxypyrimidine-5-carbaldehyde (cas: 90905-32-1Recommanded Product: 90905-32-1).

2-Methoxypyrimidine-5-carbaldehyde (cas: 90905-32-1) belongs to pyrimidine derivatives. The pyrimidine nitrogenous bases are derived from the organic compound pyrimidine through the addition of various functional groups. For example, the neurotoxin tetrodotoxin is a pyrimidine derivative. It is found in a number of species including the Japanese puffer fish, the blue-ringed octopus, and the orange-bellied newt. Tetrodotoxin prevents the transmission of nerve signals and can result in paralysis and death.Recommanded Product: 90905-32-1

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Total Synthesis of (±)-Cylindrospermopsin was written by Xie, Chaoyu;Runnegar, Maria T. C.;Snider, Barry B.. And the article was included in Journal of the American Chemical Society in 2000.Recommanded Product: 59864-30-1 This article mentions the following:

The first total synthesis of the novel hepatotoxin (±)-cylindrospermopsin (I) has been accomplished in 20 steps from 4-methoxy-3-methylpyridine (II) in 3.5% overall yield. The substituted piperidine A ring III was generated stereospecifically by a four-step sequence using the addition of trimethylsilylethynylmagnesium bromide to II to give IV (Troc = CO₂CH₂CCl₃) and stereospecific addition of vinylcuprate to IV to form V. The reaction of diamine VI (R¹ = R² = H; TBDMS = SiMe₂CMe₃) with cyanogen bromide produced the cyclic guanidine C ring of VI (R¹R² = C:NH). The key step in the synthesis was bromination of ketone VII (Cbz = CO₂CH₂Ph), followed by hydrogenation to liberate the free guanidine, which underwent an intramol. S_N2 reaction to form the tetrahydropyrimidine ring B of VIII. Further hydrogenation reduced the ketone to yield 42% of VIII containing the fully functionalized tricyclic system and protected hydroxymethyluracil side chain of cylindrospermopsin. Hydrolysis of the pyrimidine in concentrated hydrochloric acid and selective monosulfation completed the synthesis of cylindrospermopsin. In the experiment, the researchers used many compounds, for example, 2,6-Dimethoxypyrimidine-4-carboxylic acid (cas: 59864-30-1Recommanded Product: 59864-30-1).

2,6-Dimethoxypyrimidine-4-carboxylic acid (cas: 59864-30-1) belongs to pyrimidine derivatives. Pyrimidines are isomeric with two other forms of diazines: pyridazine, with the nitrogen atoms in the 1 and 2 positions; and pyrazine, with the nitrogen atoms in the 1 and 4 positions. For example, the neurotoxin tetrodotoxin is a pyrimidine derivative. It is found in a number of species including the Japanese puffer fish, the blue-ringed octopus, and the orange-bellied newt. Tetrodotoxin prevents the transmission of nerve signals and can result in paralysis and death.Recommanded Product: 59864-30-1

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Influence of the C-5 substitution in polysubstituted pyrimidines on inhibition of prostaglandin E₂ production was written by Kolman, Viktor;Kalcic, Filip;Jansa, Petr;Zidek, Zdenek;Janeba, Zlatko. And the article was included in European Journal of Medicinal Chemistry in 2018.Application of 40230-24-8 This article mentions the following:

As a part of a broader structure-activity relationship study of substituted 2-aminopyrimidines, the influence of the C-5 substitution on inhibition of prostaglandin E2 (PGE2) production was studied. Thirty compounds were prepared starting from the corresponding 2-amino-4,6-dichloropyrimidines using Suzuki cross-coupling. It was shown previously that 2-amino-4,6-dichloropyrimidines with smaller C-5 substituent (hydrogen and methyl) were devoid of significant activity, while 5-Bu derivatives exhibited prominent potency. In this study, on the other hand, both monoaryl- and bisarylpyrimidines were potent inhibitors of PGE2 production regardless the length of the C-5 substituent (hydrogen, Me, n-butyl). Moreover, the shorter the C-5 substituent the higher potency to inhibit PGE₂ production was observed 2-Amino-4,6-diphenylpyrimidine was the best inhibitor of PGE2 production with IC₅₀ = 3 nM and no cytotoxicity. The most potent inhibitors deserve further preclin. evaluation as potential anti-inflammatory agents. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8Application of 40230-24-8).

4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) belongs to pyrimidine derivatives. The pyrimidine nitrogenous bases are derived from the organic compound pyrimidine through the addition of various functional groups. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.Application of 40230-24-8

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Pyrimidine derivatives. V. 5 was written by Inoue, Shoji. And the article was included in Chemical & Pharmaceutical Bulletin in 1958.Synthetic Route of C4H5N3O This article mentions the following:

Thiazolo[5,4-d]pyrimidine (I) and its 2-substituted derivatives are synthesized. The 4-HS derivative (II) of 5-aminopyrimidine (III) was 1st prepared from the 4-HO derivative (IV), the 6-Cl derivative (V), and the 6,4-Cl(HS) derivative (VI) of III. IV (1 g.) refluxed 8 hrs. with 3 g. P₂S₅ and 20 cc. xylene, the filtered solid from the cooled mixture dissolved in 20 cc. N NaOH, decolorized with C, and the filtrate neutralized with AcOH and extracted with AcOEt yielded 0.4-0.5 g. II, m. 207° (decomposition). The 4,6-Cl₂ derivative of 5-nitropyrimidine (5 g.) reduced with Fe powder and AcOH as above yielded 3 g. 4,6-Cl₂ derivative of III, m. 142°, which (5 g.) in 50 cc. EtOH heated 3 hrs. at 60° with the theoretical amount of KSH yielded 4.1 g. VI, m. above 300°, and this (1 g.) desulfurized with Raney Ni in NH₄OH (as was V in Part IV) yielded 0.2 g. V, m. 123° (decomposition). V (0.13 g.) in 5 cc. H₂O heated 2 hrs. at 60° with 0.2 g. KSH and the cooled mixture neutralized with AcOH yielded 0.1 g. II. VI (1 g.) refluxed 3 hrs. with 5 g. powd. Zn in 20 cc. H₂O and 3 cc. 28% NH₄OH, the filtrate from the mixture concentrated, neutralized, and extracted with AcOEt yielded 0.55 g. II. II was next cyclized as were similar compounds in the preceding abstracts (weight II, reagent, hrs. of refluxing, derivative of I formed, m.p., and g. yield given): 0.3 g., HCO₂H, 2, I, 144°, 0.1; 0.3 g., Ac₂O, 2, 2-Me, 77°, 0.16; 0.4 g., BzCl in C₅H₅N, 3, 2-Ph, 119-20°, 0.55; 0.2 g., K methylxanthate, 15, 2-HS (VII), 287° (decomposition), 0.21. The K salt of VII (0.2 g.) refluxed 30 min. with 0.12 g. PhCH₂Cl in 20 cc. 70% EtOH, the solvent distilled, the residue treated with 5 cc. N NaOH, and extracted with ether yielded 0.21 g. 2-PhCH₂S derivative of I, m. 101°. In the experiment, the researchers used many compounds, for example, 5-Aminopyrimidin-4(3H)-one (cas: 69785-94-0Synthetic Route of C4H5N3O).

5-Aminopyrimidin-4(3H)-one (cas: 69785-94-0) belongs to pyrimidine derivatives. Heterocyclic compounds bearing the pyrimidine core are of tremendous interest as they constitute an important class of natural and synthetic compounds exhibiting diverse useful biological activities that hold attractive potential for clinical translation as therapeutic agents in alleviation of a myriad of diseases. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.Synthetic Route of C4H5N3O

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The preparation of some 4,6-disubstituted pyrimidine-5-carboxylic acids was written by Mehta, M. D.;Miller, D.. And the article was included in Journal of the Chemical Society in 1965.Computed Properties of C6H7BrN2O2 This article mentions the following:

4,6-Disubstituted pyrimidine-5-carboxylic acids have been prepared from 5-bromopyrimidines through the halogenmetal interconversion with n-butyllithium. When bromine and chlorine were both present in the pyrimidine nucleus, only the former underwent the interconversion reaction. Most of the acids were converted into derivatives through their acid chlorides. The reaction of 4,6-dimethoxypyrimidine with n-butyllithium gave a 2,5-dihydropyrimidine whose N.M.R. spectrum showed coupling between the C-2 and C-5 protons with the unusually large coupling constant of 5.5 c./s. This is discussed. In the experiment, the researchers used many compounds, for example, 5-Bromo-4,6-dimethoxypyrimidine (cas: 4319-77-1Computed Properties of C6H7BrN2O2).

5-Bromo-4,6-dimethoxypyrimidine (cas: 4319-77-1) belongs to pyrimidine derivatives. The pyrimidine derivatives can easily interact with enzymes, genetic materials, and bio components within the cell. Therapy for fungal infections is based mainly on four classes of antifungals: azoles, echinocandins, polyenes, and pyrimidine analogs.Computed Properties of C6H7BrN2O2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Removal of antibiotics from milk via ozonation in a vortex reactor was written by Liu, Pengyun;Wu, Zhilin;Cannizzo, Francesca Tiziana;Mantegna, Stefano;Cravotto, Giancarlo. And the article was included in Journal of Hazardous Materials in 2022.COA of Formula: C11H12N4O3S This article mentions the following:

Antibiotics (ABX) residues occur frequently in milk, causing considerable wastage of medicated milk and serious economic losses, and making the issue a burden for the dairy industry. Improper disposal of medicated milk harms dairy production, animal welfare, and the environment. This work studies the use of ozonation in a vortex reactor for removing ceftiofur hydrochloride (CEF), sulfamonomethoxine sodium (SMM), marbofloxacin (MAR) and oxytetracycline (OTC) from milk. In terms of residual concentration, O₃ efficiency and the degradation kinetics of the various O₃-involving processes in the vortex reactor, ABX removal via ozonation is better using stronger vortexing, which induces hydrodynamic cavitation. CEF undergoes the fastest degradation, followed by SMM, MAR, and OTC. High ABX hydrophobicity favors ABX degradation via ozonation, O₃/H₂O₂, and O₃/Na₂S₂O₈. ABX oxidation by ^•OH at the O₃ gas-bubble/milk interface is the principle degradation pathway, except for MAR. ABX degradation follows pseudo-first-order kinetics and is affected by initial ABX concentration, O₃ concentration/flow rate, reaction temperature, and milk components to varying degrees. Under optimal ozonation conditions, ABX residues meet the maximum limits as set by the European Commission and no antimicrobial activity was observed The decontaminated milk was therefore suggested to be reused as calf food, animal feed, organic fertilizer, etc. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3COA of Formula: C11H12N4O3S).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) belongs to pyrimidine derivatives. Heterocyclic compounds bearing the pyrimidine core are of tremendous interest as they constitute an important class of natural and synthetic compounds exhibiting diverse useful biological activities that hold attractive potential for clinical translation as therapeutic agents in alleviation of a myriad of diseases. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.COA of Formula: C11H12N4O3S

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Transformation kinetics and pathways of sulfamonomethoxine by UV/H₂O₂ in swine wastewater was written by Li, Yejin;Yang, Linyan;Chen, Xueming;Han, Yuefei;Cao, Guomin. And the article was included in Chemosphere in 2021.Synthetic Route of C11H12N4O3S This article mentions the following:

Sulfamonomethoxine (SMM), as one of the most predominant antibiotics in animal wastewater, is pending for effective control to minimize its environmental risks. Transformation kinetics and pathways of SMM by UV/H₂O2 in swine wastewater were systematically investigated in this study. Direct UV photolysis (as a dominant role) and •OH oxidation contributed to SMM degradation in UV/H₂O2 system. The less effective reaction rate of SMM in real wastewater than synthetic wastewater (0.1-0.17 vs. ∼0.2-1.5 min-1, despite higher H₂O2 dosage and extended reaction time) resulted mainly from the abundant presence of conventional contaminants (indicated by COD, a notable competitor of SMM) in real wastewater. SMM degradation benefited from higher H₂O2 dosage and neutral and weak alk. conditions. However, the effect of initial SMM concentration on SMM degradation in synthetic and real wastewater showed opposite trends, owning to the different probability of SMM mols. to interact with UV and H₂O2 in different matrixes. Carbonate had an inhibitory effect on SMM degradation by scavenging •OH and pH-variation induced effect, while nitrate promoted SMM degradation by generating more •OH. The removal efficiency of SMM in real wastewater reached 91% under the reaction conditions of H₂O2 of 10 mM, reaction time of 60 min, and pH 6.7-6.9. SMM degradation pathway was proposed as hydroxylation of benzene and pyrimidine rings, and secondary amine, and the subsequent cleavage of S-N bond. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Synthetic Route of C11H12N4O3S).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) belongs to pyrimidine derivatives. The pyrimidine nitrogenous bases are derived from the organic compound pyrimidine through the addition of various functional groups. A Cu-catalyzed and 4-HO-TEMPO-mediated [3 + 3] annulation of commercially available amidines with saturated ketones enables an efficient and facile synthesis of structurally important pyrimidines via a cascade reaction of oxidative dehydrogenation/annulation/oxidative aromatization.Synthetic Route of C11H12N4O3S

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Highly Selective MERTK Inhibitors Achieved by a Single Methyl Group was written by Zhao, Jichen;Zhang, Dehui;Zhang, Weihe;Stashko, Michael A.;DeRyckere, Deborah;Vasileiadi, Eleana;Parker, Rebecca E.;Hunter, Debra;Liu, Qingyang;Zhang, Yuewei;Norris-Drouin, Jacqueline;Li, Bing;Drewry, David H.;Kireev, Dmitri;Graham, Douglas K.;Earp, Henry Shelton;Frye, Stephen V.;Wang, Xiaodong. And the article was included in Journal of Medicinal Chemistry in 2018.Recommanded Product: 1375301-91-9 This article mentions the following:

Although all kinases share the same ATP binding pocket, subtle differences in the residues that form the pocket differentiate individual kinases’ affinity for ATP competitive inhibitors. The authors have found that by introducing a single Me group, the selectivity of the MERTK inhibitors over another target, FLT3, was increased up to 1000-fold (compound I). Compound II was identified as an in vivo tool compound with subnanomolar activity against MERTK and 38-fold selectivity over FLT3 in vitro. The potency and selectivity of II for MERTK over FLT3 were confirmed in cell-based assays using human cancer cell lines. Compound II had favorable pharmacokinetic properties in mice. Phosphorylation of MERTK was decreased by 75% in bone marrow leukemia cells from mice treated with II compared to vehicle-treated mice. In the experiment, the researchers used many compounds, for example, 2-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (cas: 1375301-91-9Recommanded Product: 1375301-91-9).

2-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (cas: 1375301-91-9) belongs to pyrimidine derivatives. The pyrimidine nitrogenous bases are derived from the organic compound pyrimidine through the addition of various functional groups. As nucleotides in DNA and RNA, pyrimidine nucleotide derivatives have a wide range of biological applications. For example, pyrimidine derivatives are useful in DNA repair studies involving cancer and epigenetics.Recommanded Product: 1375301-91-9

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Occurrence of pharmaceutical and personal care products in Cau River, Vietnam was written by Ngo, Thanh Huy;Van, Dieu-Anh;Tran, Hoai Le;Nakada, Norihide;Tanaka, Hiroaki;Huynh, Trung Hai. And the article was included in Environmental Science and Pollution Research in 2021.Electric Literature of C11H12N4O3S This article mentions the following:

Abstract: This study evaluated the occurrence of PPCPs in Cau River (Vietnam). Surface water and sediment samples were collected to determine PPCP concentrations The anal. results showed the presence of 36 out of 56 investigated PPCPs in samples. The total concentration of PPCPs in water samples ranged from 8.21 to 529 ng/L and the value observed in sediment was from 17.4 to 172.8 μg/kg. Along the Cau River, there was a trend of accumulation of PPCPs at the downstream. The highest level of PPCP was observed after the river flows through Thai Nguyen and Bac Ninh provinces. Among detected PPCPs, the ones detected with high frequency (over 70%) and high concentration were caffeine, sulfamethoxazole, and lincomycin in water and triclocarban, levofloxacin, and griseofulvin in sediment. The water-sediment partition coefficient (K_d) was estimated to explore the fate of PPCP in the river, and the observed K_d mean values for lincomycin, sulfamethoxazole, and griseofulvin were 223.0, 7.6, and 997.0 kg/L, resp. Risk assessment was initially conducted by applying a semi-quant. assessment risk quotient (RQ); the potential ecol. risk to the aquatic organism of PPCPs posed a moderate risk. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Electric Literature of C11H12N4O3S).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) belongs to pyrimidine derivatives. The pyrimidine nitrogenous bases are derived from the organic compound pyrimidine through the addition of various functional groups. As nucleotides in DNA and RNA, pyrimidine nucleotide derivatives have a wide range of biological applications. For example, pyrimidine derivatives are useful in DNA repair studies involving cancer and epigenetics.Electric Literature of C11H12N4O3S

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia