YM 471 - Moligand™ , Antagonist of V 1A receptor;Antagonist of V 1B receptor;Antagonist of V 2 receptor, CAS No.Y614927, Antagonist of V 1A receptor;Antagonist of V 1B receptor;Antagonist of V 2 receptor

CAS: Y614927 Cat. No.: Y614927 PubChem CID: 9810140

GRADE & PURITY Moligand™

Synonyms

YM-471

Storage

Room temperature

Specifications

Synonyms

YM-471

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of V 1A receptor;Antagonist of V 1B receptor;Antagonist of V 2 receptor

Names and Identifiers

• Canonical Smiles: CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C
• IUPAC Name: N-[4-[(5Z)-5-[2-(4-dimethylaminopiperidin-1-yl)-2-oxoethylidene]-4,4-difluoro2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide
• InChIKey: ICRPTZMWRJGNQI-CLIDGEQKSA-N
• INCHI: 1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-
• Isomeric SMILES: CN(C)C1CCN(CC1)C(=O)/C=C\2/C3=CC=CC=C3N(CCC2(F)F)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6
• PubChem CID: 9810140

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Biphenyls and derivatives Benzazepines Benzamides N-acylpiperidines Benzoyl derivatives Aminopiperidines Azepines Tertiary carboxylic acid amides Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Carbonyl compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Biphenyl - Benzazepine - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Benzoyl - 4-aminopiperidine - Azepine - Piperidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Amine - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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)

AVPR1A Tclin Vasopressin V1a receptor (2 Activities)

Discover Target: AVPR1A

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

AVPR1B Tclin Vasopressin V1b receptor (1 Activities)

Discover Target: AVPR1B

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

AVPR2 Tclin Vasopressin V2 receptor (2 Activities)

Discover Target: AVPR2

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

AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)

Discover Target: AVPR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

Discover Target: AVPR1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action