SML3186

BMS-626529

≥98% (HPLC)

• Synonym(s): 1-(4-Benzoyl-1-piperazinyl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-ethanedione, 1-(4-Benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, BMS 626529, Temsavir
• Empirical Formula (Hill Notation): C₂₄H₂₃N₇O₄
• CAS Number: 701213-36-7
• Molecular Weight: 473.48
• MDL number: MFCD22665723
• UNSPSC Code: 12352200

Properties

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear (warmed)
• storage temp.: 2-8°C
• SMILES string: O=C(C1=CC=CC=C1)N(CC2)CCN2C(C(C3=CNC4=C(N5C=NC(C)=N5)N=CC(OC)=C43)=O)=O
• InChI: 1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3
• InChI key: QRPZBKAMSFHVRW-UHFFFAOYSA-N

Description

Biochem/physiol Actions

BMS-626529 is an HIV attachment inhibitor. HIV entry requires several steps in sequence starting with HIV surface protein gp120 binding to the CD4 receptor followed by a conformational change in gp120, eventually resulting in the fusion of HIV and the T cell membranes, allowing entry of the viral core into the cell. BMS-626529 prevents gp120 from binding to CD4. There is considerable heterogeneity within gp120 viral isolates. However, BMS-626529 was active against the majority of HIV-1 viruses with EC50 values <10 nM against most. Because of solubility problems, BMS-626529 is administered as its prodrug, BMS-663068.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable