CAS 652145-29-4 D 131, 98% - Materials / Alfa Chemistry

NAVIGATION

D 131, 98%

PRICE INQUIRY

Catalog Number

ACM652145294

CAS Number

652145-29-4

Product Name

D 131, 98%

Category

Other Glass and Ceramic Materials

IUPAC Name

(E)-2-cyano-3-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]prop-2-enoic acid

Molecular Weight

508.6g/mol

Molecular Formula

C35H28N2O2

Canonical SMILES

C1CC2C(C1)N(C3=C2C=C(C=C3)C=C(C#N)C(=O)O)C4=CC=C(C=C4)C=C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H28N2O2/c36-23-28(35(38)39)20-25-16-19-34-32(22-25)30-12-7-13-33(30)37(34)29-17-14-24(15-18-29)21-31(26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-11,14-22,30,33H,7,12-13H2,(H,38,39)/b28-20+

InChI Key

GOTRYMLNXIJMCB-VFCFBJKWSA-N

Application

D 131, 98% serves as a CXCR4 antagonist with significant anti-HIV properties. It is an oligopeptide that effectively inhibits the activation of the C-X-C chemokine receptor 4 (CXCR4), a receptor involved in various biological processes such as cell progression, hematopoiesis, cancer, HIV entry, and rheumatoid arthritis, by the stromal cell-derived factor-1 (SDF-1), also known as chemokine ligand 12 (CXCL12). With an IC50 of 4.5 nM, D 131, 98% efficiently blocks the activation of CXCR4, while also demonstrating an EC50 of 73 nM in preventing HIV-induced cytopathogenicity. Additionally, D 131, 98% and its derivatives hold potential for use in imaging CXCR4 and further exploring its functions.

Complexity

950

Covalently-Bonded Unit Count

Exact Mass

508.215078g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

508.215078g/mol

Rotatable Bond Count

XLogP3

8.4