BMS 193885 - ≥99%(HPLC) , CAS No.679839-66-8

CAS: 679839-66-8 Cat. No.: B287092 分子式: C₃₃H₄₂N₄O₆•C₃H₆O₃ 分子量: 680.79 PubChem CID: 56972234

GRADE & PURITY ≥99%(HPLC)

Synonyms

1,4-Dihydro-4-[3-[[[[3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl]amino]carbonyl]amino]phenyl]-2,6-dimethyl-3,5-pyridinedicarboxylic acid 3,5-dimethyl esterL-Lactate | (S)-2-hydroxypropanoic acid compound with (Z)-N-(3-(3,5-bis(methoxycarbonyl)-2,6-dimethy

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

同義語

1,4-Dihydro-4-[3-[[[[3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl]amino]carbonyl]amino]phenyl]-2,6-dimethyl-3,5-pyridinedicarboxylic acid 3,5-dimethyl esterL-Lactate | (S)-2-hydroxypropanoic acid compound with (Z)-N-(3-(3,5-bis(methoxycarbonyl)-2,6-dimethy

仕様と純度

≥99%(HPLC)

生化学的・生理学的メカニズム

Potent, competitive neuropeptide (NPY) Y1antagonist (Ki= 3.3 nM, IC50= 5.9 nM) that displays > 47, > 100, > 160, > 160 and > 160-fold selectivity overσ1,α1, Y2, Y4and Y5receptors respectively. Reduces food intake and body weight via central Y1inhibition a

保管条件

Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

ANTAGONIST

純度

≥99%(HPLC)

名前と識別子

• パブケム・シド: 488201804
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488201804
• カノニカル・スマイル: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=O)NCCCN3CCC(CC3)C4=CC(=CC=C4)OC)C(=O)OC.CC(C(=O)O)O
• IUPAC Name: dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;(2S)-2-hydroxypropanoic acid
• InChIKey: BYHJIPSVXAFCDI-WNQIDUERSA-N
• INCHI: 1S/C33H42N4O6.C3H6O3/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)25-10-6-11-26(19-25)36-33(40)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)41-3;1-2(4)3(5)6/h6-7,9-12,19-20,23,30,35H,8,13-18H2,1-5H3,(H2,34,36,40);2,4H,1H3,(H,5,6)/t;2-/m.0/s1
• 異性体SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=O)NCCCN3CCC(CC3)C4=CC(=CC=C4)OC)C(=O)OC.C[C@@H](C(=O)O)O
• PubChem CID: 56972234
• 分子量: 680.79

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: N-phenylureas Dihydropyridinecarboxylic acids and derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Aralkylamines Alpha hydroxy acids and derivatives Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Ureas Trialkylamines Secondary alcohols Amino acids and derivatives Enamines Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Phenylpiperidine - N-phenylurea - Dihydropyridinecarboxylic acid derivative - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Dihydropyridine - Alpha-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Benzenoid - Hydropyridine - Vinylogous amide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Enamine - Ether - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: Solvent:water, Max Conc. mg/mL: 13.62, Max Conc. mM: 20; Solvent:DMSO, Max Conc. mg/mL: 68.08, Max Conc. mM: 100
• 分子量: 680.800 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 13
• Exact Mass: 680.342 Da
• Monoisotopic Mass: 680.342 Da
• Topological Polar Surface Area: 176.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 1070.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

参考文献

1. Qianru Xiang, Xiao Chen, Enhui Tang, Zhi Chen, Zijun Xia, Wenzhen Liao.  (2025)  Nobiletin Alleviates Npy1r-Mediated Insulin Secretion Deficiency of Islet β-Cells via the Clock-Modulatory Signaling.  MOLECULAR NUTRITION & FOOD RESEARCH,      [PMID:40913544] [10.1002/mnfr.70208]