Day: March 30, 2022

Product Details of 120099-61-8. 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: (S)-3-Methoxypyrrolidine, is researched, Molecular C5H11NO, CAS is 120099-61-8, about Design, synthesis and biological evaluation of benzo[cd]indol-2(1H)-one derivatives as BRD4 inhibitors. Author is Feng, Yuxin; Xiao, Senhao; Chen, Yantao; Jiang, Hao; Liu, Na; Luo, Cheng; Chen, Shijie; Chen, Hua.

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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Reference:
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 Gas electron diffraction and quantum chemical study of the structure of a 2-nitrobenzenesulfonyl chloride molecule, published in 2011-08-31, which mentions a compound: 148-51-6, Name is 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, Molecular C8H12ClNO2, Recommanded Product: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride.

A combined gas electron diffraction and quantum chem. (B3LYP/6-311+G**, B3LYP/cc-pVTZ, B3LYP/cc-pVTZ, midix (Cl), and MP2/cc-pVTZ) study of the structure of a 2-NO2-C6H4-SO2Cl mol. is performed. It is found exptl. that at a temperature of 345(5) K the gas phase contains two conformers of the C 1 symmetry. Conformer I with a nearly perpendicular arrangement of the S-Cl bond with respect to the benzene ring plane (the C(NO2)-C-S-Cl torsion angle is 84(3)°) is contained predominantly (69(12)%). In conformer II, the S-Cl bond is located near the benzene ring plane (the C(NO2)-C-S-Cl angle is 172(3)°). The following exptl. internuclear distances (Å) are obtained for conformer I: rh1(C-H) = 1.064(15), rh1(C-C)av = 1.397(3), rh1(C-S) = 1.761(6), rh1(S-O)av = 1.426(4), rh1(S-Cl) = 2.043(5), rh1(N-O)av = 1.222(4), rh1(C-N) = 1.485(16). In both conformers, the NO2 group is turned by more than 30° relative to the benzene ring plane.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Pyridoxine-derived bicyclic aminopyridinol antioxidants: synthesis and their antioxidant activities, published in 2011, which mentions a compound: 148-51-6, mainly applied to bicyclic aminopyridinol derivative preparation antioxidant activity, Computed Properties of C8H12ClNO2.

A few facile synthetic pathway for bicyclic aminopyridinol antioxidants are presented. Attachment of a long alkyl chain to the bicyclic pyridinol scaffold was established using an ester linkage. Non-substituted pyrrolopyridinols and 1,3-oxazine-fused pyridinols were also synthesized as novel antioxidant scaffolds. Antioxidant activities were measured by a radical clock method and new compounds prepared are comparable to the best bicyclic aminopyridinol antioxidants.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Related Products of 35621-01-3. 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. Compound: Piperidin-4-amine dihydrochloride, is researched, Molecular C5H14Cl2N2, CAS is 35621-01-3, about Synthesis and pharmacological evaluation of piperidine derivatives with various heterocyclic rings at the 4-position.

A series of piperidine derivatives with various heterocyclic rings at the 4-position, e.g. I, II, was prepared and tested for antihypertensive activity and other biol. activities. The antihypertensive effects of the present compounds in the spontaneous hypertensive rat were less potent than those of previously reported compounds However, some exhibited antiulcer and/or antiinflammatory activity. Structure-activity relationships are discussed.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Safety of 2-Bromo-3-methoxypropanoic acid. 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: 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

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 Antimicrobial properties and volatile profile of bread and biscuits melanoidins, published in 2022-03-30, which mentions a compound: 591-12-8, Name is 5-Methylfuran-2(3H)-one, Molecular C5H6O2, Product Details of 591-12-8.

This work gives novel information about the antimicrobial effect and volatiles of melanoidins isolated from Maria biscuit, common and soft bread. Melanoidins were isolated from scraped and sieved crusts (1 mm), after gluten digestion, 10 kDa ultrafiltration, and diafiltration. Finally, they were freeze-dried. Headspace solid-phase dynamic extraction coupled with a gas chromatograph with a mass spectrometer was used to determine the volatile profiles. The antimicrobial effect was evaluated against isolated strains of the most relevant food spoilage and pathogen microorganisms, together with some molds and yeasts. Melanoidins from common bread exhibited the most extensive antimicrobial activities and showed the most composite volatile profile. No undesirable compounds, such as furfural and 5-hydroxy-methyl-furfural, were found in any of the melanoidins studied. The obtained data pointed out that bakery melanoidins can exert effective food technol. properties as natural antimicrobials that can improve shelf-life and security of foodstuffs, together with a possible contribution to food aroma.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Application In Synthesis of (S)-3-Methoxypyrrolidine. 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 Discovery of β-Arrestin Biased, Orally Bioavailable, and CNS Penetrant Neurotensin Receptor 1 (NTR1) Allosteric Modulators. Author is Pinkerton, Anthony B.; Peddibhotla, Satyamaheshwar; Yamamoto, Fusayo; Slosky, Lauren M.; Bai, Yushi; Maloney, Patrick; Hershberger, Paul; Hedrick, Michael P.; Falter, Bekhi; Ardecky, Robert J.; Smith, Layton H.; Chung, Thomas D. Y.; Jackson, Michael R.; Caron, Marc G.; Barak, Lawrence S..

Neurotensin receptor 1 (NTR1) is a G protein coupled receptor that is widely expressed throughout the central nervous system where it acts as a neuromodulator. Neurotensin receptors have been implicated in a wide variety of CNS disorders but despite extensive efforts to develop small mol. ligands there are few reports of such compounds Herein we describe the optimization of a quinazoline based lead to give 18 (SBI-553(I)), a potent and brain penetrant NTR1 allosteric modulator.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 591-12-8, is researched, SMILESS is O=C1OC(C)=CC1, Molecular C5H6O2Journal, New Journal of Chemistry called Enantioselective vinylogous Michael addition of β,γ-unsaturated butenolide to 2-iminochromenes, Author is Gupta, Vijay; Singh, Ravi P., the main research direction is furanone aminochromene carbonitrile enantioselective diastereoselective preparation; iminichromene unsaturated butenolide Michael addition.Application of 591-12-8.

An efficient organocatalyzed asym. synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles via vinylogous Michael addition of non-activated β,γ-unsaturated butenolide to 2-iminochromenes was realized.

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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.Khan, Misbahul Ain; Ferreira de Rocha, Joao researched the compound: 4-Chloro-8-methylquinoline( cas:18436-73-2 ).Reference of 4-Chloro-8-methylquinoline.They published the article 《Tricyclic heteroaromatic ring systems. II. A convenient synthesis of 1H-pyrrolo[3,2-c]quinolines》 about this compound( cas:18436-73-2 ) in Journal of Heterocyclic Chemistry. Keywords: pyrroloquinoline; quinolinyl hydrazone cyclization. We’ll tell you more about this compound (cas:18436-73-2).

Quinol-4-yl hydrazones I (R = H, Me, Et; R1 = Me, Ph, Et; RR1 = (CH2)n, n = 3, 4; R2 = H, Me; R3 = H, 6-, 7-, 8-Cl, 6-, 7-, 8-Me, 6-, 7-, 8-MeO) on heating in high boiling solvents undergo cyclizations to give 1H-pyrrolo[3,2-c]quinolines II in good yields. Some of these I were alkylated to provide their N-alkyl derivatives

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Recommanded Product: Piperidin-4-amine dihydrochloride. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Piperidin-4-amine dihydrochloride, is researched, Molecular C5H14Cl2N2, CAS is 35621-01-3, about The synthesis of a series of 7-amino-1-cyclopropyl-8-fluoro-1,4-dihydro-4-oxo-1,6-naphthyridine-3-carboxylic acids as potential antibacterial agents. Author is Sanchez, Joseph P.; Gogliotti, Rocco D..

A series of title compounds I [R = 3-aminopyrrolidin-1-yl, 3-(ethylaminomethyl)pyrrolidin-1-yl, 4-aminopiperidin-1-yl, piperazin-1-yl] was prepared and evaluated for antibacterial activity (no data). I were prepared by the displacement of the chloro substituent from I (R = Cl) with the requisite nitrogen nucleophile. The naphthyridine acid was synthesized in ten steps from pyridinecarboxylate II (R1 = OH, R2 = NO2). The key step in the sequence was a Schiemann reaction of II (R1 = Cl, R2 = N2+ PF6-) to give II (R1 = Cl, R2 = F).

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia