BMS 193885 - ≥98% , CAS No.186185-03-5

CAS: 186185-03-5 Cat. No.: B332143 Fórmula: C₃₃H₄₂N₄O₆ Peso molecular: 590.71 Número CE: 663-935-9

GRADE & PURITY ≥98%

Synonyms

819SRG2Y6N | NCGC00261701-01 | UNII-819SRG2Y6N | 1,4-Dihydro-4-[3-[[[[3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl]amino]carbonyl]amino]phenyl]-2,6-dimethyl-3,5-pyridinedicarboxylicacid3,5-dimethylesterL-Lactate | CCG-222320 | Q27269229 | NCGC00485144-01 |

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Visão geral

BMS 193885 is a potent, competitive NPY1-R antagonist (K|i|= 3.3 nM, IC|50|= 5.9 nM) that displays > 47, > 100, > 160, > 160 and > 160-fold selectivity over σ1, α1, NPY2-R, NPY4-R and NPY5-R receptors respectively. Reduces food intake and body weight via central NPY1-R inhibition and is a brain penetrant.

Specifications

Sinónimos

819SRG2Y6N | NCGC00261701-01 | UNII-819SRG2Y6N | 1,4-Dihydro-4-[3-[[[[3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl]amino]carbonyl]amino]phenyl]-2,6-dimethyl-3,5-pyridinedicarboxylicacid3,5-dimethylesterL-Lactate | CCG-222320 | Q27269229 | NCGC00485144-01 |

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

BMS-193885 is a potent, selective Y1 antagonist that is active in both acute and chronic animal models of food intake. Although it is active in vivo, it is not orally bioavailable due to poor intestinal absorption, so it is not being pursued for pharmaceu

Condições de armazenamento de armazenamento

Store at -20°C,Desiccated

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ANTAGONIST

Pureza

≥98%

Propriedades do produto

• Dados Ki: NPY1-R: Ki= 3.3 nM

Nomes e identificadores

• Pubchem Sid: 504765156
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765156
• Sorrisos canónicos: 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
• IUPAC Name: dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• InChIKey: WMYSXJSJXZFODY-UHFFFAOYSA-N
• INCHI: 1S/C33H42N4O6/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/h6-7,9-12,19-20,23,30,35H,8,13-18H2,1-5H3,(H2,34,36,40)
• SMILES isoméricas: 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
• WGK Alemanha: 3
• Peso molecular: 590.71
• Reaxy-Rn: 9104068
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9104068&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: N-phenylureas Dihydropyridinecarboxylic acids and derivatives Anisoles Phenoxy compounds Methoxybenzenes Aralkylamines Alkyl aryl ethers Dicarboxylic acids and derivatives Enoate esters Vinylogous amides Methyl esters Amino acids and derivatives Trialkylamines Ureas Enamines Dialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - N-phenylurea - Dihydropyridinecarboxylic acid derivative - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Dihydropyridine - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydropyridine - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Enoate ester - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Urea - Carboxylic acid ester - Secondary amine - Azacycle - Ether - Enamine - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxygen compound - Amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in water (20 mM), and DMSO (100 mM).
• Índice de refração: n20D~1.57 (Predicted)
• Peso molecular: 590.700 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 590.31 Da
• Monoisotopic Mass: 590.31 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 1010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 1