AZD1386 - Moligand™ , Vanilloid receptor antagonist, CAS No.946080-23-5, Vanilloid receptor antagonist

CAS: 946080-23-5 Cat. No.: A607856 Molecular Weight: 423.8 PubChem CID: 24752296

GRADE & PURITY Moligand™

Synonyms

CID 24752296 | KB-270807 | GTPL7820 | 5/'-chloro-7/'-methyl-1/'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-5,3/'-indole]-2,2/',4-trione | DXDVSYALLVVBOV-UHFFFAOYSA-N | AZD 1386 | SCHEMBL4257077 | Q27074708 | 5'-chloro-7'-methyl-1'-[[3-(trifluo

Storage

Room temperature

Specifications

Synonyms

CID 24752296 | KB-270807 | GTPL7820 | 5/'-chloro-7/'-methyl-1/'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-5, 3/'-indole]-2, 2/', 4-trione | DXDVSYALLVVBOV-UHFFFAOYSA-N | AZD 1386 | SCHEMBL4257077 | Q27074708 | 5'-chloro-7'-methyl-1'-[[3-(trifluo

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST, INHIBITOR

Mechanism of action

Vanilloid receptor antagonist

Product Properties

• ALogP: 3.2

Names and Identifiers

• Canonical Smiles: O=C1NC(=O)C2(N1)c1cc(Cl)cc(c1N(C2=O)Cc1cccc(c1)C(F)(F)F)C
• IUPAC Name: 5'-chloro-7'-methyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
• InChIKey: DXDVSYALLVVBOV-UHFFFAOYSA-N
• INCHI: 1S/C19H13ClF3N3O3/c1-9-5-12(20)7-13-14(9)26(16(28)18(13)15(27)24-17(29)25-18)8-10-3-2-4-11(6-10)19(21,22)23/h2-7H,8H2,1H3,(H2,24,25,27,29)
• Isomeric SMILES: CC1=CC(=CC2=C1N(C(=O)C23C(=O)NC(=O)N3)CC4=CC(=CC=C4)C(F)(F)F)Cl
• PubChem CID: 24752296
• Molecular Weight: 423.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolidines
      • Subclass Imidazolidines
        • Level5 Imidazolidinones
          • Level6 Imidazolidinediones
            • Level7 Hydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones
• Direct Parent: Hydantoins
• Alternative Parents: Trifluoromethylbenzenes Alpha amino acids and derivatives Indoles and derivatives 5-monosubstituted hydantoins N-acyl ureas Aryl chlorides Tertiary carboxylic acid amides Dicarboximides Lactams Azacyclic compounds Hydrocarbon derivatives Organochlorides Carbonyl compounds Organopnictogen compounds Organofluorides Organonitrogen compounds Alkyl fluorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydantoin - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Indole or derivatives - 5-monosubstituted hydantoin - Ureide - N-acyl urea - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Tertiary carboxylic acid amide - Carboxamide group - Urea - Lactam - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
• 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)

TRPV1 Tclin Transient receptor potential cation channel subfamily V member 1 (1 Activities)

Discover Target: TRPV1

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