2-[2-ethyl-1-oxamoyl-3-[[2-(phenylmethyl)phenyl]methyl]indolizin-8-yl]oxyacetic acid - Moligand™ , Inhibitor of sPLA 2-1B, CAS No.E609037, Inhibitor of sPLA 2-1B

CAS: E609037 Cat. No.: E609037 PubChem CID: 10389981

GRADE & PURITY Moligand™

Synonyms

compound 28xvii

Storage

Room temperature

Specifications

Sinónimos

compound 28xvii

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of sPLA 2-1B

Nombres e identificadores

• Sonrisas canónicas: CCc1c(C(=O)C(=O)N)c2n(c1Cc1ccccc1Cc1ccccc1)cccc2OCC(=O)O
• IUPAC Name: 2-[2-ethyl-1-oxamoyl-3-[[2-(phenylmethyl)phenyl]methyl]indolizin-8-yl]oxyacetic acid
• InChIKey: LNIJDTKDAASOIT-UHFFFAOYSA-N
• INCHI: 1S/C28H26N2O5/c1-2-21-22(16-20-12-7-6-11-19(20)15-18-9-4-3-5-10-18)30-14-8-13-23(35-17-24(31)32)26(30)25(21)27(33)28(29)34/h3-14H,2,15-17H2,1H3,(H2,29,34)(H,31,32)
• Isómeros SMILES: CCC1=C(N2C=CC=C(C2=C1C(=O)C(=O)N)OCC(=O)O)CC3=CC=CC=C3CC4=CC=CC=C4
• PubChem CID: 10389981

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Indolizines Aryl ketones Alkyl aryl ethers Substituted pyrroles Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylmethane - Indolizine - Pyrrolopyridine - Aryl ketone - Alkyl aryl ether - Pyridine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Primary carboxylic acid amide - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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)

PLA2G1B Tchem Phospholipase A2 (3 Activities)

Discover Target: PLA2G1B

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

Mecanismos de acción