9-(4-chlorobenzoyl)-6-methanesulfonyl-2,3,4,9-tetrahydro-1H-carbazol-4-one - Moligand™ , Inhibitor of COX-1;Inhibitor of COX-2, CAS No.C608673, Inhibitor of COX-1;Inhibitor of COX-2

CAS: C608673 Cat. No.: C608673 PubChem CID: 131801158

GRADE & PURITY Moligand™

Synonyms

compound 12a

Storage

Room temperature

Specifications

Sinónimos

compound 12a

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of COX-1;Inhibitor of COX-2

Nombres e identificadores

• Sonrisas canónicas: Clc1ccc(cc1)C(=O)n1c2ccc(cc2c2c1CCCC2=O)S(=O)(=O)C
• IUPAC Name: 9-(4-chlorobenzoyl)-6-methanesulfonyl-2,3,4,9-tetrahydro-1H-carbazol-4-one
• InChIKey: MITGKKFYIJJQGL-UHFFFAOYSA-N
• INCHI: 1S/C20H16ClNO4S/c1-27(25,26)14-9-10-16-15(11-14)19-17(3-2-4-18(19)23)22(16)20(24)12-5-7-13(21)8-6-12/h5-11H,2-4H2,1H3
• Isómeros SMILES: CS(=O)(=O)C1=CC2=C(C=C1)N(C3=C2C(=O)CCC3)C(=O)C4=CC=C(C=C4)Cl
• PubChem CID: 131801158

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Benzoylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Benzoylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoylindoles
• Alternative Parents: Carbazoles Indolecarboxylic acids and derivatives 4-halobenzoic acids and derivatives Indoles Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Substituted pyrroles Aryl chlorides Vinylogous amides Sulfones Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoylindole - Carbazole - Indolecarboxylic acid derivative - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Indole - Benzoic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Benzoyl - Halobenzene - Chlorobenzene - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Sulfone - Pyrrole - Ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moiety through the acyl group.
• 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

Objetivos asociados (humanos)

PTGS1 Tclin Prostaglandin G/H synthase 1 (1 Activities)

Discover Target: PTGS1

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

PTGS2 Tclin Prostaglandin G/H synthase 2 (2 Activities)

Discover Target: PTGS2

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

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

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

PTGS2 Tclin Cyclooxygenase (1258 Activities)

Discover Target: PTGS2

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

Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de acción