Month: January 2023

A new method for the synthesis of 2-glycosylaminopyridines. Tandem Diels-Alder/retro-Diels-Alder reactions in the synthesis of 2-amino- and 2-glycosylaminopyridines was written by Cobo, J.;Melguizo, M.;Sanchez, A.;Nogueras, M.. And the article was included in Synlett in 1993.Safety of 6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one This article mentions the following:

Several 2-amino- and 2-glycosylaminopyridines, I (X = O, S) and II (R’ = H, CH₂OAc, X = O, S), were synthesized through a tandem Diels-Alder/retro-Diels-Alder reaction starting from 6-amino-, e.g. III (R = H, Me, X = O, S), and 6-glycosylaminopyrimidines with di-Me acetylenedicarboxylate as dienophile. This approach constitutes a new method for the synthesis of nucleosides derived from 2-aminopyridines. In the experiment, the researchers used many compounds, for example, 6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one (cas: 54030-56-7Safety of 6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one).

6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one (cas: 54030-56-7) 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.Safety of 6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Discovery of a potent and highly selective transforming growth factor β receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) was written by Muraoka, Terushige;Ide, Mitsuaki;Morikami, Kenji;Irie, Machiko;Nakamura, Mitsuaki;Miura, Takaaki;Kamikawa, Takayuki;Nishihara, Masamichi;Kashiwagi, Hirotaka. And the article was included in Bioorganic & Medicinal Chemistry in 2016.Product Details of 175137-21-0 This article mentions the following:

A novel thienopyrimidinone analog was discovered as a potent and highly selective TAK1 inhibitor using the SBDD approach. TAK1 plays a key role in inflammatory and immune signaling, so TAK1 is considered to be an attractive mol. target for the treatment of human diseases (inflammatory disease, cancer, etc.). After the hit compound had been obtained, the authors’ modifications successfully increased TAK1 inhibitory activity and solubility, but metabolic stability was still unsatisfactory. To improve metabolic stability, the authors conducted metabolic identification. Although the obtained metabolite was fortunately a potent TAK1 inhibitor, its kinase selectivity was low. Subsequently, to achieve high kinase selectivity, the authors used SBDD to follow two strategies: one targeting unique amino acid residues in TAK1, especially the combination of Ser 111 and Asn 114; the other decreasing the interaction with Tyr 106 at the hinge position in TAK1. As expected, the authors’ designed compound (I) showed an excellent kinase selectivity profile in both an inhouse and a com. available panel assay of over 420 kinases and also retained its potent TAK1 inhibitory activity (TAK1 IC₅₀ = 11 nM). In the experiment, the researchers used many compounds, for example, 4-Chloro-7-methylthieno[3,2-d]pyrimidine (cas: 175137-21-0Product Details of 175137-21-0).

4-Chloro-7-methylthieno[3,2-d]pyrimidine (cas: 175137-21-0) 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. Drugs having the pyrimidine motif have manifested to exhibit gratifying biological activity like anticancer, antiviral, anti-inflammatory, antibacterial, and antihypertensive activities.Product Details of 175137-21-0

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Molecular docking, modeling, semiempirical calculations studies and in vitro evaluation of new synthesized pyrimidin-imide derivatives was written by Abo-Bakr, Ahmed M.;Alsoghier, Hesham M.;Abdelmonsef, Aboubakr H.. And the article was included in Journal of Molecular Structure in 2022.SDS of cas: 40230-24-8 This article mentions the following:

New pyrimidin-imide derivatives I (R = 1,3-dioxo-3a,4,7,7a-tetrahydro-2H-isoindol-2-yl, 1,3-dioxo-2H-isoindol-2-yl, 4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl, etc.) and II were synthesized by a condensation reaction of 4,6-diphenylpyrimidin-2-amine with different anhydrides such as phthalic anhydride, 1,8-naphthalic anhydride, pyromellitic dianhydride, etc. The synthesized compounds have been investigated and put under several studies such as, in vitro and in silico techniques, Lipinski’s rule of five (RO5), semiempirical (PM6) computational calculations in addition of some physicochem. parameters measurements to evaluate their biol. effect against Penicillin-Binding Protein 3 (PBP3) from Escherichia coli. These studies revealed that the newly synthesized pyrimidin-imides have min. binding energy and good affinity especially for ligand mol. 5 which may be considered a promising inhibitor for the PBP3 protein. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8SDS of cas: 40230-24-8).

4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) 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. 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.SDS of cas: 40230-24-8

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Insights into binding modes of adenosine A_2B antagonists with ligand-based and receptor-based methods was written by Cheng, Feixiong;Xu, Zhejun;Liu, Guixia;Tang, Yun. And the article was included in European Journal of Medicinal Chemistry in 2010.HPLC of Formula: 40230-24-8 This article mentions the following:

Ligand-based and receptor-based methods were used to investigate the binding modes of human adenosine A_2B antagonists. At first, pharmacophore models were developed based on 140 diverse A_2B antagonists from literature. Meanwhile, the structural model of A_2B receptor was built up based on the crystal structure of human A_2A receptor and validated by Induced Fit docking, Glide-XP and Glide-SP docking. Two models matched each other very well and some important implications were hence obtained. The residues of Phe173 and Glu174 in the second extracellular loop and Asn254 were crucial to the antagonists binding to form π-π stacking and hydrogen-bonding interactions. These findings would be very helpful for the discovery of novel and potent A_2B antagonists. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8HPLC of Formula: 40230-24-8).

4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) 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. 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.HPLC of Formula: 40230-24-8

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The octaethylporphyrin-dihexylbithiophene derivatives combined with pyridine and pyrimidine rings. Their syntheses and proton-mediated and heat-driven spectral changes was written by Higuchi, Hiroyuki;Hayashi, Naoto;Matsukihira, Takuya;Kawakami, Takanori;Takizawa, Toru;Saito, Junji;Miyabayashi, Keiko;Miyake, Mikio. And the article was included in Heterocycles in 2008.Synthetic Route of C6H4N2 This article mentions the following:

Nickel octaethylporphyrin (NiOEP)-dihexylbithiophene (DHBTh) derivatives combined with pyridine (Pyr) and pyrimidine (Pym) as proton-acceptable rings (PAR) were synthesized, describable as NiOEP-DHBTh-PAR, in which all the NiOEP, DHBTh, and PAR components are connected with diacetylene linkage. Their ¹H NMR and electronic spectral properties and electrochem. behaviors were studied under the neutral and acidic conditions. Reversible proton-mediated and heat-driven spectral changes of NiOEP-DHBTh-PAR were performed, reflecting both properties of PAR and DHBTh. In the experiment, the researchers used many compounds, for example, 2-Ethynylpyrimidine (cas: 37972-24-0Synthetic Route of C6H4N2).

2-Ethynylpyrimidine (cas: 37972-24-0) belongs to pyrimidine derivatives. Pyrimidine also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. Drugs having the pyrimidine motif have manifested to exhibit gratifying biological activity like anticancer, antiviral, anti-inflammatory, antibacterial, and antihypertensive activities.Synthetic Route of C6H4N2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Ultrasound-assisted microwave synthesis and mechanistic aspect of 2-amino-4, 6-diaryl pyrimidines and 3, 5-diaryl-1H- pyrazoles was written by Elzupir, Amin O.;Saeed, Ahmed E. M.;Barakat, Izzeldeen E.;Van Der Westhuizen, Jan H.. And the article was included in International Journal of Current Pharmaceutical Research in 2015.COA of Formula: C16H13N3 This article mentions the following:

A novel approach was developed for synthesis of a series of 2-amino-4,6-diaryl pyrimidines and 3,5-diaryl-1H-pyrazoles, using a condensation reaction of guanidine or hydrazine with enones compounds, in the presence of ethanol as solvent and NaOAc as catalyst. Ultrasound was used for solvation of the enones, followed by microwave for heterocyclization reaction. A moderate to good yield was gotten in a short period of time. The structures of synthetic compounds were elucidated by ¹H NMR, EI-MS, FT-IR and UV-Vis spectroscopy. Moreover, the mechanism of reaction was investigated; the products were formed through direct addition to hard electrophile followed by heterocyclization. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8COA of Formula: C16H13N3).

4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) belongs to pyrimidine derivatives. Pyrimidine is an aromatic heterocyclic organic compound similar to pyridine. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.COA of Formula: C16H13N3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Bromination of pyrimidines by N-bromosuccinimide was written by Nishiwaki, Tarozaemon. And the article was included in Chem. & Pharm. Bull. (Tokyo) in 1961.HPLC of Formula: 63931-22-6 This article mentions the following:

Pyrimidines having potentially tautomeric groups at the 2-, 4-, or 6-position were brominated preferentially at the 5-position by N-bromosuccinimide (I) in HOAc. Thus, 0.01 mole pyrimidine in 20 ml. HOAc was treated with 0.01 mole I 1 hr. at 100°. The precipitate was collected and crystallized to give N:CR¹N:CR².CBr:CR³ (R¹, R², R³, m.p., and % yield given): OH, OH, H, 295° 59; OH, OH, Me, 248°, 76; H, OH, OH, 264°, 61; NH₂, OH, H, 275°, 83; NH₂, OH, Me, 249°, 61; NH₂, H, H, 239-40°, 62; NH₂, Cl, Cl, 235-6°, 63; NH₂, Me, Me, 183-4°, 75; NH₂, Ph, Me, 125-8°, 70; Cl, Cl, NH₂, 155-7°, 79; SMe, OH, H, 252°, 41; SMe, OH, Me, 246°, 21; SMe, OH, NH₂, -, 60; SMe, Cl, NH₂, 164-5°, 66; SEt, OH, H, 185-7.5°, 47. An ionic mechanism was postulated as yields were improved by addition of AlCl₃, FeCl₃, SnCl₄, and picric acid and not reduced by radical inhibitors. The bromination by I of O- and S-alkylpyrimidines, 1,3,4-trimethyluracil, and 2,4-dichloro-6-methylpyrimidine by this method was not successful. In the experiment, the researchers used many compounds, for example, 5-Bromo-6-chloro-2-(methylthio)pyrimidin-4-amine (cas: 63931-22-6HPLC of Formula: 63931-22-6).

5-Bromo-6-chloro-2-(methylthio)pyrimidin-4-amine (cas: 63931-22-6) 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.HPLC of Formula: 63931-22-6

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Design and synthesis of potent and selective inhibitors of BRD7 and BRD9 bromodomains was written by Hay, Duncan A.;Rogers, Catherine M.;Fedorov, Oleg;Tallant, Cynthia;Martin, Sarah;Monteiro, Octovia P.;Muller, Susanne;Knapp, Stefan;Schofield, Christopher J.;Brennan, Paul E.. And the article was included in MedChemComm in 2015.Category: pyrimidines This article mentions the following:

Emerging evidence suggests bromodomain-containing proteins 7 and 9 (BRD7 and BRD9) have roles in the regulation of human transcription and disease including cancer. We describe potent and selective inhibitors of the BRD7 and BRD9 bromodomains intended for use as tools to elucidate the biol. roles of BRD7 and BRD9 in healthy and diseased cells. In the experiment, the researchers used many compounds, for example, 2-Ethynylpyrimidine (cas: 37972-24-0Category: pyrimidines).

2-Ethynylpyrimidine (cas: 37972-24-0) belongs to pyrimidine derivatives. Pyrimidine also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own.Category: pyrimidines

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Multi-pharmaceuticals analysis in fish by continuous series solid-phase extraction coupled with UPLC-MS/MS was written by Gao, Lei;Wang, Peng;Chen, Zhongxiang;Tang, Shizhan;Wu, Song;Li, Gang;Qin, Dongli. And the article was included in Acta Chromatographica in 2022.Name: 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide This article mentions the following:

Pharmaceuticals which are widely used in aquatic can easily migrate into the environment and aquatic animals, and can increase the risk of drug resistance and allergic symptoms if consumed by humans. In order to achieve high-throughput anal. of pharmaceuticals with different phys. and chem. properties from complex matrixes, we developed a new method for various types pharmaceuticals in fish and shrimp tissue. Series solid-phase extraction (s-SPE) with different adsorbents was selected for extracting and purifying analytes with different paddings. s-SPE were combined with ultra performance liquid chromatog. triple quadruple tandem mass spectrometry (UPLC-MS/MS) for the detection of 30 pharmaceuticals antibiotics in fish samples. This method was stabilized and reliable to determinate the pharmaceuticals in fish and shrimp samples. As the method combined multiple Chinese national standards method, it could be easily treat the multi-pharmaceuticals from the fish and shrimp samples once time. It provided for both quant. and qual. methods and they could be applied to singleor multi-residue methods. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Name: 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) belongs to pyrimidine derivatives. The aromatic compound pyrimidine, and its derivatives, are ubiquitous in nature. They are found in nucleic acids, vitamins, amino acids, antibiotics, alkaloids, and a variety of toxins. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.Name: 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Cu(II) assisted peroxymonosulfate oxidation of sulfonamide antibiotics: The involvement of Cu(III) was written by Zhao, Qing;Zhang, Xiao;Huang, Dezhi;Chen, Long;Li, Shuxin;Chovelon, Jean-Marc;Zhou, Lei;Xiu, Guangli. And the article was included in Chemosphere in 2021.Reference of 1220-83-3 This article mentions the following:

Cu(II) is generally considered to be a poor activator for PMS decomposition, thus the potential impact of trace Cu(II) on PMS induced oxidation of typical pollutants is always overlooked. In this study, we reported that trace Cu(II) could significantly promote PMS induced degradation of four selected sulfonamide antibiotics (SAs), namely, sulfamehoxazole (SMX), sulfathiazole (STZ), sulfamerazine (SMZ), and sulfamonomethoxine (SMM). Different from conventional PMS-induced oxidation process, high-valent Cu(III) was ascertained as the primary reactive intermediate for SAs degradation, which was confirmed by raman tests and ESR (EPR). High concentrations of Cu(II) or PMS were beneficial to degradation of the selected contaminants. In PMS/Cu(II) oxidation system, all the selected SAs could undergo several different degradation pathways including continuous oxidation of aniline group, hydroxylation and S-N bond cleavage. In particular, for six-membered SAs, such as SMZ and SMM, a SO₂ extrusion pathway was also detected. The potential mechanism for Cu(III) formation was also proposed, which was believed to be highly related to the nature of the SAs. Hydroxylamine-SAs (N⁴-OH-SAs), generated from direct PMS oxidation of SAs, was deduced as the “promoter” for the whole oxidation process. And the generation of Cu(III) was likely to proceed through the interaction between PMS and Cu(I), which possibly derived from the reduction of Cu(II) by N⁴-OH-SAs. The results obtained in this study validated the contribution of Cu(III) to the elimination of pollutants and expanded our understanding of the oxidation process of PMS in the presence of trace amounts of Cu(II). In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Reference of 1220-83-3).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) 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. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own.Reference of 1220-83-3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia