BODIPY-pirenzepine - Moligand™ , Antagonist of M 1 receptor, CAS No.B608178, Antagonist of M 1 receptor

CAS: B608178 Cat. No.: B608178 PubChem CID: 101244456

GRADE & PURITY Moligand™

Synonyms

Bodipy[558/568]Pirenzepine | BoPz

Storage

Room temperature

Specifications

Synonyms

Bodipy[558/568]Pirenzepine | BoPz

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of M 1 receptor

Names and Identifiers

• Canonical Smiles: O=C(CCc1ccc(n1B(F)F)/C=C/1\C=CC(=N1)c1cccs1)NCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2
• IUPAC Name: 3-[1-difluoroboranyl-5-[(E)-(5-thiophen-2-ylpyrrol-2-ylidene)methyl]pyrrol-2-yl]-N-[6-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]hexyl]propanamide
• InChIKey: QGXCAYBSIKPOHP-ORIPQNMZSA-N
• INCHI: 1S/C40H43BF2N8O3S/c42-41(43)51-30(14-15-31(51)27-29-13-17-33(46-29)36-12-8-26-55-36)16-18-37(52)44-19-5-1-2-6-21-48-22-24-49(25-23-48)28-38(53)50-35-11-4-3-9-32(35)40(54)47-34-10-7-20-45-39(34)50/h3-4,7-15,17,20,26-27H,1-2,5-6,16,18-19,21-25,28H2,(H,44,52)(H,47,54)/b29-27+
• Isomeric SMILES: B(N1C(=CC=C1/C=C/2\C=CC(=N2)C3=CC=CS3)CCC(=O)NCCCCCCN4CCN(CC4)CC(=O)N5C6=CC=CC=C6C(=O)NC7=C5N=CC=C7)(F)F
• PubChem CID: 101244456

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodiazepines
      • Subclass 1,4-benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-benzodiazepines
• Alternative Parents: Pyridodiazepines Alpha amino acids and derivatives N-piperazineacetamides 1,4-diazepines N-alkylpiperazines Benzenoids Fatty amides Substituted pyrroles Imidolactams Pyridines and derivatives Vinylogous amides Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Ketimines Secondary carboxylic acid amides Trialkylamines Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrido-para-diazepine - 1,4-benzodiazepine - Alpha-amino acid or derivatives - N-piperazineacetamide - N-alkylpiperazine - Para-diazepine - 1,4-diazinane - Piperazine - Fatty acyl - Imidolactam - Pyridine - Benzenoid - Substituted pyrrole - Fatty amide - Vinylogous amide - Tertiary carboxylic acid amide - Pyrrole - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Ketimine - Lactam - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Carboxylic acid derivative - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Amine - Imine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
• 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

Associated Targets(Human)

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (1 Activities)

Discover Target: CHRM1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)