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

CAS: 946080-23-5 Cat. No.: A607856 분자식: C₁₉H₁₃ClF₃N₃O₃ 분자량: 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

동의어

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

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

ANTAGONIST, INHIBITOR

작동 메커니즘

Vanilloid receptor antagonist

제품 특성

• ALogP: 3.2

이름과 식별자

• 정식 스마일: 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)
• 이성체 SMILES: CC1=CC(=CC2=C1N(C(=O)C23C(=O)NC(=O)N3)CC4=CC(=CC=C4)C(F)(F)F)Cl
• PubChem CID: 24752296
• 분자량: 423.8

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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)