CAY10502 - Moligand™, ≥98% , Inhibitor of cPLA 2-4A, CAS No.888320-29-4, Inhibitor of cPLA 2-4A

CAS: 888320-29-4 Cat. No.: C337369 Molecular Weight: 523.62 EC Number: 889-536-1

GRADE & PURITY Moligand™, ≥98%

Synonyms

BDBM50185354 | compound 57 [PMID: 16610804] | HMS3650G20 | HY-116301 | 1-(3-(4-(Decyloxy)phenoxy)-2-oxopropyl)-3-(methoxycarbonyl)-1H-indole-5-carboxylic acid | 1-[3-(4-decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid | MS-29698 | AKO

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

CAY10502 is a potent Calcium-dependent cytosolic PLA2 (cPLA2α) inhibitor with an IC50 value of 4.3 nM for the purified enzyme from human platelets. Inhibits arachidonic acid mobilization from A23187-stimulated or TPA-stimulated human platelets with IC50 values of 570 and 0.9 nM, respectively.

Specifications

Synonyms

BDBM50185354 | compound 57 [PMID: 16610804] | HMS3650G20 | HY-116301 | 1-(3-(4-(Decyloxy)phenoxy)-2-oxopropyl)-3-(methoxycarbonyl)-1H-indole-5-carboxylic acid | 1-[3-(4-decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid | MS-29698 | AKO

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of cPLA 2-4A

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766635
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766635
• Canonical Smiles: CCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)CN2C=C(C3=C2C=CC(=C3)C(=O)O)C(=O)OC
• IUPAC Name: 1-[3-(4-decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid
• InChIKey: NXDZVUAKVFVDSL-UHFFFAOYSA-N
• INCHI: 1S/C30H37NO7/c1-3-4-5-6-7-8-9-10-17-37-24-12-14-25(15-13-24)38-21-23(32)19-31-20-27(30(35)36-2)26-18-22(29(33)34)11-16-28(26)31/h11-16,18,20H,3-10,17,19,21H2,1-2H3,(H,33,34)
• Isomeric SMILES: CCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)CN2C=C(C3=C2C=CC(=C3)C(=O)O)C(=O)OC
• Alternate CAS: 888320-29-4
• Molecular Weight: 523.62
• Reaxy-Rn: 10620712
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10620712&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids
• Alternative Parents: N-alkylindoles Indoles Phenol ethers Phenoxy compounds Pyrrole carboxylic acids and derivatives Alkyl aryl ethers Substituted pyrroles Methyl esters Vinylogous amides Heteroaromatic compounds Ketones Azacyclic compounds Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid - N-alkylindole - Indole - Phenoxy compound - Phenol ether - Pyrrole-3-carboxylic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Methyl ester - Ketone - Carboxylic acid ester - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
• 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)

PLA2G4A Tchem Cytosolic phospholipase A2 (4 Activities)

Discover Target: PLA2G4A

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 523.600 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 18
• Exact Mass: 523.257 Da
• Monoisotopic Mass: 523.257 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 736.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1