Day: April 1, 2022

COA of Formula: C8H12ClNO2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, is researched, Molecular C8H12ClNO2, CAS is 148-51-6, about Synthesis of aflatoxins by the non-growing mycelia of Aspergillus parasiticus and the effect of inhibitors. Author is Gupta, S. R.; Prasanna, H. R.; Viswanathan, L.; Venkitasubramanian, T. A..

Aflatoxins were synthesized by nongrowing mycelia of A. parasiticus, the amount and type (B or G) being dependent on the buffer used in the suspension medium. Incorporation of acetate-14C into aflatoxin was decreased by compounds that inhibit ATP production or interfere with the utilization of certain amino acids. In contrast, the specific activities of aflatoxins were increased by compounds that diverted acetate from metabolic pathways other than those leading to aflatoxin formation.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5-Methylfuran-2(3H)-one( cas:591-12-8 ) is researched.Recommanded Product: 5-Methylfuran-2(3H)-one.Lukic, Igor; Carlin, Silvia; Horvat, Ivana; Vrhovsek, Urska published the article 《Combined targeted and untargeted profiling of volatile aroma compounds with comprehensive two-dimensional gas chromatography for differentiation of virgin olive oils according to variety and geographical origin》 about this compound( cas:591-12-8 ) in Food Chemistry. Keywords: volatile aroma compound virgin olive oil 2D GC; Comprehensive two-dimensional gas chromatography; Croatia; Geographical origin; Mono-dimensional; Multivariate analysis; Variety; Virgin olive oil; Volatile aroma compounds. Let’s learn more about this compound (cas:591-12-8).

Comprehensive two-dimensional gas chromatog. with time-of-flight mass spectrometry (GC × GC-TOF-MS) was combined with conventional mono-dimensional GC-MS to differentiate Croatian virgin olive oils (VOO) according to variety and geog. origin, based on the profile of volatile aroma compounds isolated by HS-SPME. More than 1000 compounds were detected after untargeted profiling and 256 were identified or tentatively identified, providing one of the most detailed profiles of volatile aroma compounds in VOO up to date. Among them, 131 volatile compounds were significantly different across monovarietal VOOs, while 60 were found useful for the discrimination according to geog. origin. Many major lipoxygenase and minor non-lipoxygenase-generated compounds were shown to have discriminating ability with respect to both factors. Multivariate statistical anal. extracted twenty-one volatile markers with the highest discriminant power for varietal differentiation. The approach reported may have practical application in better understanding, defining, managing, and communicating the varietal or geog. typicity of monovarietal VOOs.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Feng, Yuxin; Xiao, Senhao; Chen, Yantao; Jiang, Hao; Liu, Na; Luo, Cheng; Chen, Shijie; Chen, Hua researched the compound: (S)-3-Methoxypyrrolidine( cas:120099-61-8 ).Reference of (S)-3-Methoxypyrrolidine.They published the article 《Design, synthesis and biological evaluation of benzo[cd]indol-2(1H)-one derivatives as BRD4 inhibitors》 about this compound( cas:120099-61-8 ) in European Journal of Medicinal Chemistry. Keywords: benzoindolone preparation BRD4 inhibitor antitumor cancer human; Acetyl-lysine binding pocket; BRD4 inhibitor; Benzo[cd]indol-2(1H)-one; Bromodomain and extra-terminal domain; Sulfonamide. We’ll tell you more about this compound (cas:120099-61-8).

A series of benzo[cd]indol-2(1H)-one derivatives were designed by structural optimization based on compound I and evaluated for their BRD4 (bromodomain-containing protein 4) inhibitory activity. The results showed that four compounds are the most potential ones with the IC50 values of 1.02 μM, 1.43 μM, 1.55 μM and 3.02 μM. According to their co-crystal structures in complex with BRD4_BD1 and the protein thermal shift assays, the binding modes were revealed that the addnl. indirect hydrogen bonds and hydrophobic interactions make such four compounds more active than I against BRD4. Furthermore, compounds I, 1-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl)pyrrolidine-2-carbohydrazide and 1-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl)pyrrolidine-2-carboxylic acid were chosen to evaluate for their antiproliferative activities on the MLL-AF4-expression acute leukemia cell line (MV4-11), other cancer cell lines and the non-cancer cell lines. The results showed that these compounds exhibited good and selective inhibitory activities against MV4-11 cells with the IC50 values of 11.67 μM, 5.55 μM, and 11.54 μM, resp., and could act on the cell proliferation by blocking cell cycle at G1 phase. They could markedly down-regulate the expressions of the c-Myc, Bcl-2 and CDK6 oncogenes in MV4-11 in the qRT-PCR and western blot studies, which further demonstrated that compound I and its derivatives could serve as a promising therapeutic strategy for MLL leukemia by targeting BRD4_BD1 protein.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Morisawa, Yasuhiro; Kataoka, Mitsuru; Sakamoto, Toshiaki; Saito, Fumiko researched the compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride( cas:148-51-6 ).Reference of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride.They published the article 《Studies on anticoccidial agents. Part VI. Modification at the 2-position of 4-deoxypyridoxol and α4-norpyridoxol》 about this compound( cas:148-51-6 ) in Agricultural and Biological Chemistry. Keywords: pyridoxol derivative anticoccidial; norpyridoxol derivative anticoccidial; coccidiostat pyridoxol norpyridoxol. We’ll tell you more about this compound (cas:148-51-6).

The title derivatives I (R = Me, R1 = Et; R = R1 = H; R = H, R1 = HOCH2; R = H, R1 = MeO) were prepared Thus, I (R = H, R1 = Me) was treated with PhCH2Cl and the product oxidized and treated with Ac2O to give 2-(acetoxymethyl)-3-(benzyloxy)-5-(benzyloxymethyl)pyridine, which was hydrolyzed and hydrogenated to give I (R = H, R1 = HOCH2). At 200 ppm I (R = H, R1 = MeO) had anticoccidial activity against Eimeria acervulina.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Quality Control of 2-Bromo-3-methoxypropanoic acid. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 2-Bromo-3-methoxypropanoic acid, is researched, Molecular C4H7BrO3, CAS is 65090-78-0, about N-Substituted amino acid N’-benzylamides: synthesis, anticonvulsant, and metabolic activities. Author is Beguin, Cecile; LeTiran, Arnaud; Stables, James P.; Voyksner, Robert D.; Kohn, Harold.

Amino acid amides (AAA) were prepared and evaluated in seizure models. The AAA displayed moderate-to-excellent activity in the maximal electroshock seizure (MES) test and were devoid of activity in the s.c. Metrazol-induced (scMet) seizure test. The AAA anticonvulsant activity was neither strongly influenced by the C(2) substituent nor by the degree of terminal amine substitution. An in vitro metabolism study suggested that the structure-activity relationship pattern was due, in part, to metabolic processes that occurred at the N-terminal amine unit.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《β-Amino acids. IV. β-Methionine and β-ethionine》. Authors are Birkofer, Leonhard; Storch, Ingeborg.The article about the compound:2-Bromo-3-methoxypropanoic acidcas:65090-78-0,SMILESS:O=C(O)C(Br)COC).Recommanded Product: 2-Bromo-3-methoxypropanoic acid. Through the article, more information about this compound (cas:65090-78-0) is conveyed.

cf. C.A. 49, 2317d. HO2CCHAcCH2CO2Et and NaH gave the Na salt, which with ClCH2SMe yielded EtO2CAc(CH2SMe)CH2CO2Et (I), b3 153° (2,4-dinitrophenylhydrazone, m. 92-3°). Refluxed 10 hrs. with 18% HCl I gave AcCH(CH2SMe)CH2CO2H, isolated as the Et ester (II), b3 123° (2,4-dinitrophenylhydrazone, m. 62-3°), as well as AcC(:CH2)CH2CO2H (2,4-dinitrophenylhydrazone, m. 210°), and 3-acetyl-γ-butyrolactone (2,4-dinitrophenylhydrazone, m. 193°). I refluxed with HCl only 4 hrs. gave mono-Et 2-acetyl-2-(methylthiomethyl)succinate, b0.001 115-17° (2,4-dinitrophenylhydrazone, m. 169-70°). I was saponified with Ba(OH)2 to HO2CCH(CH2SMe)CH2CO2H, m. 114-15°. II and HN3 in the presence of HCl gave β-methionine (III), m. 197-8° (picrolonate, m. 190-2°; 3,5-dinitrobenzoyl derivative, m. 200°). MeSCH2CH:CHCO2H, m. 58.5°, obtained from MeSCH2CHO and CH2(CO2H)2 (IV), gave III with NH3 in a sealed tube at 150-60°. EtSNa, obtained from EtSH with Na, and bromoacetal gave EtSCH2CH(OEt)2, converted by HCl to the aldehyde, b14 45-6°, which with IV gave EtSCH2CH:CHCO2H, which with NH3 in a sealed tube yielded β-ethionine (V), m. 198° (picrolonate, m. 180-3°). III and V do not react with aqueous ninhydrin, but give a blue color with it in 95% BuOH-5% 2N HOAc.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《4,5-Dihalo and 3-amino analogs of pyridoxine. New route to 4-deoxypyridoxine》. Authors are McCasland, G. E.; Gottwald, L. Kenneth; Furst, Arthur.The article about the compound:5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloridecas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl).Recommanded Product: 148-51-6. Through the article, more information about this compound (cas:148-51-6) is conveyed.

Dihalo analogs of pyridoxine, expected to show good alkylating activity, were prepared as potential antitumor agents. SOCl2 (15.0 ml.) was added to 2.06 g. powd. dry pyridoxine hydrochloride (I), the mixture refluxed 1 hr., cooled to 0-25° for several days, filtered, and the crystals washed with C6H6, then with 10 ml. Me2CO, m. 140-90°. Recrystallization from absolute EtOH-C6H6 gave 1.6 g. needles. Dissolution in 25 ml. boiling absolute EtOH and treatment with 25 ml. hot C6H6 gave on cooling 0.9 g. 2-methyl-3-hydroxy-4,5-bis(chloromethyl)pyridine hydrochloride (II), m. 175-90° (decomposition), recrystallized from 10 ml. EtOH to yield 0.7 g. product, m.p. unchanged. I (6.2 g.) treated with 43.5 ml. SOCl2 but kept at 25° only 12 hrs. gave after washing with Me2CO 7.1 g. II, m. 185-95° (decomposition). The use of PCl5 in CCl4, or concentrated HCl, failed to yield pure II. I (21.4 g.) and 200 ml. 8.8M HBr was refluxed 15 min., cooled, filtered, and the solid washed with H2O and Me, CO to give 24.2 g. crystalline 2methyl-3-hydroxy-4,5-bis(bromomethyl)pyridine hydrobromide (III), m. 224-8° (decomposition). III (1.88 g.) was stirred with 0.463 g. NaHCO3 in 20 ml. H2O; the mixture turned pink, then red, and after 100 min. stirring was filtered. The solid was washed with H2O and dried to give 0.6 g. brown-red powder, m. above 325°. The pH of the filtrate was 2, indicating displacement of one or both Br atoms from BrCH2. The solid was insoluble at the boiling point in EtOH, H2O, or 6M HCl. I (2.06 g.) boiled with 67.2 g. 7.6M HI gave 1.3 g.2-methyl-3-hydroxy-4,5-bis(iodomethyl)pyridine hydriodide (IV), m. 120-60° (decomposition). III with NaI in Me2CO failed to give IV. 2-Methyl-3-amino-4,5-bis(hydroxymethyl)pyridine monohydrochloride (V), m. 195-7°, with 8.8M HBr gave 34% 2 methyl-3-amino4,5-bis(bromomethyl)pyridine hydrobromide, m. 220° (decomposition). When 1.0 g. V was boiled with 6.5 ml. 7.6M HI, iodine was liberated and one of the HOCH2 groups was reduced to Me to give 0.59 g. black crystalline mass, which was crystallized from absolute EtOH to yield light yellow 2,4-dimethyl-3-amino-5-(hydroxymethyl)pyridine hydriodide (VI), m. 190-6°, VI (50 mg.) was heated 5 min. with 43 mg. AgCl in 1.0 ml. H2O, the mixturefiltered to remove AgI, the filtrate acidified with 0.2 ml. 12M HCl, the acid solution treated with 23 mg. NaNO2 in 1.0 ml. H2O, and the mixture heated until N effervescence ceased (10-15 min.). The solution was vacuum-distilled to dryness, 0.5 ml. 12M HCl added to the residue, the distillation to dryness repeated, the residue extracted with 2.0 ml. absolute EtOH, cooled, and filtered. The filtrate was treated with Et2O and the separated crystals collected and dried to yield 10 mg. 4-deoxypyridoxine hydrochloride, m. 255° (decomposition). V (1.0 g.), 0.8 g. fused NaOAc, and 20 ml. Ac2O was boiled 20 min., the solvent removed by vacuum distillation, the residue extracted with 15 ml. CHCl3, the CHCl3 extract treated with C, and evaporated to give a brown oil, which was stirred with 2.0 ml. Et2O to yield 0.4 g. solid 2-methyl-3-acetamido-4,5-bis(acetoxymethyl)pyridine (VII), m. 103-1° (C6H6). VII (0.42 g.) in 12 ml. 0.5M NaOH was kept 2 hrs. at 20°, the clear solution adjusted to pH 6-7 by addition of HOAc, the solvent evaporated in vacuo, the residue extracted (Soxhlet) 24 hrs. with Me2CO, and the extract cooled to give 0.1 g. crystalline 2-methyl-3-acetamido-4,5-bis(hydroxymethyl)pyridine, m. 185-6°.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Related Products of 591-12-8. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about 5-(Chloromethyl)furfural (CMF): A Platform for Transforming Cellulose into Commercial Products. Author is Mascal, Mark.

5-(Chloromethyl)furfural (CMF) is a carbohydrate-derived platform mol. that is gaining traction as a more practical alternative to 5-(hydroxymethyl)furfural (HMF). This perspective introduces the chemocatalytic approach to biorefining as the driving force behind the development of multifunctional chem. platforms. The main advantage of CMF over HMF is that it can be produced in high yield under mild conditions directly from raw biomass. Its stability and hydrophobicity markedly facilitate isolation. CMF is also a precursor to levulinic acid (LA), another versatile biobased intermediate. The logistics of CMF production are discussed, including reactor materials, HCl handling and management, byproducts, and the fate of collateral biomass components (hemicellulose, lipids, proteins, lignin). Examples of com. markets that can be unlocked by synthetic manipulation of CMF are broken out into two derivative manifolds, furanic and levulinic, which are distributed over three product family trees: renewable monomers, fuels, and specialty chems. Selected examples of CMF- and LA-based routes to these products are presented. Finally, a model for the integration of the CMF process into biorefinery practice is put forward.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Recommanded Product: 120099-61-8. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: (S)-3-Methoxypyrrolidine, is researched, Molecular C5H11NO, CAS is 120099-61-8, about Ultrapotent vinblastines in which added molecular complexity further disrupts the target tubulin dimer-dimer interface. Author is Carney, Daniel W.; Lukesh, John C. III; Brody, Daniel M.; Brutsch, Manuela M.; Boger, Dale L..

Approaches to improving the biol. properties of natural products typically strive to modify their structures to identify the essential pharmacophore, or make functional group changes to improve biol. target affinity or functional activity, change phys. properties, enhance stability, or introduce conformational constraints. Aside from accessible semisynthetic modifications of existing functional groups, rarely does one consider using chem. synthesis to add mol. complexity to the natural product. In part, this may be attributed to the added challenge intrinsic in the synthesis of an even more complex compound Herein, we report synthetically derived, structurally more complex vinblastines inaccessible from the natural product itself that are a stunning 100-fold more active (IC50 values, 50-75 pM vs. 7 nM; HCT116), and that are now accessible because of advances in the total synthesis of the natural product. The newly discovered ultrapotent vinblastines, which may look highly unusual upon first inspection, bind tubulin with much higher affinity and likely further disrupt the tubulin head-to-tail α/β dimer-dimer interaction by virtue of the strategic placement of an added conformationally well-defined, rigid, and extended C20′ urea along the adjacent continuing protein-protein interface. In this case, the added mol. complexity was used to markedly enhance target binding and functional biol. activity (100-fold), and likely represents a general approach to improving the properties of other natural products targeting a protein-protein interaction.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called From Milligram to Kilogram Manufacture of AZD4573: Making It Possible by Application of Enzyme-, Iridium-, and Palladium-Catalyzed Key Transformations, published in , which mentions a compound: 1260667-65-9, Name is 5-Chloro-4-iodopyridin-2-amine, Molecular C5H4ClIN2, Related Products of 1260667-65-9.

With the first generation medicinal chem. synthesis as a starting point, herein process development of AZD4573, an oncol. drug candidate was described. In addition to improved yields and removal of chromatog. steps, other factors such as availability of starting materials as well as safety of the chem. involved were addressed. With several steps involving volatile, reactive, and non-UV active materials, reaction optimization was facilitated by implementing off-line 1H NMR anal. of crude mixtures Key transformations targeted for process development included a Wolff-Kishner reduction, an iridium-catalyzed borylation, and enzymic resolution of a racemic amino-ester.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia