Cy3B-telenzepine - Moligand™ , Antagonist of M 1 receptor;Antagonist of M 2 receptor, CAS No.C609677, Antagonist of M 1 receptor;Antagonist of M 2 receptor

CAS: C609677 Cat. No.: C609677 PubChem CID: 91827377

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of M 1 receptor;Antagonist of M 2 receptor

Names and Identifiers

• Canonical Smiles: O=C(Cc1ccc2c(c1)C(C)(C)C1=C3C=C4C(OC3CCN21)CC[N+]1=C4C(C)(C)c2c1ccc(c2)S([O-])([O-])[O-])NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2
• InChIKey: DGPHRPUJPHDIPO-UHFFFAOYSA-L
• INCHI: 1S/C59H73N7O7S2/c1-38-54-43(37-74-38)57(69)61-46-16-12-13-17-49(46)66(54)53(68)36-63-30-28-62(29-31-63)25-15-11-9-7-6-8-10-14-24-60-52(67)33-39-18-20-47-44(32-39)58(2,3)55-41-35-42-51(73-50(41)22-26-64(47)55)23-27-65-48-21-19-40(75(70,71)72)34-45(48)59(4,5)56(42)65/h12-13,16-21,32,34-35,37,50-51H,6-11,14-15,22-31,33,36H2,1-5H3,(H4-,60,61,67,69,70,71,72)/p-2
• Isomeric SMILES: CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)CCCCCCCCCCNC(=O)CC5=CC6=C(C=C5)N7CCC8C(=C7C6(C)C)C=C9C(O8)CC[N+]1=C9C(C2=C1C=CC(=C2)S([O-])([O-])[O-])(C)C
• PubChem CID: 91827377

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodiazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodiazepines
• Alternative Parents: N-piperazineacetamides Alpha amino acids and derivatives Thienodiazepines 3-alkylindoles Tertiary alkylarylamines N-alkylpiperazines Tetrahydropyridines 1,4-diazepines Benzenoids Pyrans Tertiary carboxylic acid amides Thiophenes Heteroaromatic compounds Vinylogous amides Lactams Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Enamines Carbonyl compounds Organic oxides Organic salts Organosulfur compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodiazepine - Alpha-amino acid or derivatives - Thieno-para-diazepine - N-piperazineacetamide - 3-alkylindole - Indole or derivatives - Tertiary aliphatic/aromatic amine - Para-diazepine - Tetrahydropyridine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Pyran - Vinylogous amide - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Enamine - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Amine - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
• 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)

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (1 Activities)

Discover Target: CHRM2

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

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)