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Merck
CN

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

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About This Item

Empirical Formula (Hill Notation):
C24H23N7O4
CAS Number:
701213-36-7
Molecular Weight:
473.48
UNSPSC Code:
51111800
NACRES:
NA.77
MDL number:
MFCD22665723

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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

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 key

QRPZBKAMSFHVRW-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear (warmed)

storage temp.

2-8°C

Quality Level

100

Related Categories

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.
HIV attachment inhibitor

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000140709
0000140710
0000137420

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