ChemicalBook--->CAS DataBase List--->701213-36-7

701213-36-7

701213-36-7 Structure

701213-36-7 Structure
IdentificationBack Directory
[Name]

BMS 626529
[CAS]

701213-36-7
[Synonyms]

CS-1668
Temsavir
EOS-62215
BMS 626529
BMS-626529
BMS-626529, Temsavir
Temsavir (BMS-626529)
BMS 626529; BMS626529
(1R,2S,3R,6S,7S,10R)-10-ISOPROPYL-3,7-DIMETHYL-11-OXATRICYCLO[5.3.1.02,6]UNDECAN-3-OL
1-Benzoyl-4-[[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]oxoacetyl]piperazine
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
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
1,2-Ethanedione, 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-Benzoyl-4-[[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]oxoacetyl]piperazine BMS626529
[Molecular Formula]

C24H23N7O4
[MDL Number]

MFCD22665723
[MOL File]

701213-36-7.mol
[Molecular Weight]

473.48
Chemical PropertiesBack Directory
[Melting point ]

263-265°C
[Boiling point ]

787.6±70.0 °C(Predicted)
[density ]

1.46±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

10.92±0.40(Predicted)
[color ]

Off-White to Pale Beige
Hazard InformationBack Directory
[Description]

BMS 626529 is an inhibitor of HIV-1 attachment. It binds to non-ligand bound HIV-1 gp120 to inhibit HIV-1 interaction with host CD4+ T cells and subsequent HIV-1 binding and cell entry. BMS 626529 reduces infectivity of laboratory strains and clinical isolates of HIV-1 (EC50s = 0.4-2,000 and 25-2,000 nM, respectively) with cytotoxic concentration (CC50) values greater than 100 μM in a panel of mammalian cell lines.
[Uses]

Temsavir is a Fostemsavir (CAS# 864953-29-7) intermediate and an antiviral agent. It is an HIV-1 attachment inhibitor.
[in vitro]

the activity of bms-626529 is virus dependent, due to heterogeneity within gp120. bms-626529 had half-maximal effective concentration values of6 log10, with half-maximal effective concentration values in the low pm range against the most susceptible viruses. measurement of the binding affinity of bms-626529 for purified gp120 suggests that a contributory factor to its inhibitory potency may be a relatively long dissociative half-life [1].
[target]

HIV-1 subtype A envelope
[storage]

Store at -20°C
[References]

[1] nowicka-sans b, gong yf, mcauliffe b, dicker i, ho ht, zhou n, eggers b, lin pf, ray n, wind-rotolo m, zhu l, majumdar a, stock d, lataillade m, hanna gj, matiskella jd, ueda y, wang t, kadow jf, meanwell na, krystal m. in vitro antiviral characteristics of hiv-1 attachment inhibitor bms-626529, the active component of the prodrug bms-663068. antimicrob agents chemother. 2012;56(7):3498-507.
[2] nettles re, schürmann d, zhu l, stonier m, huang sp, chang i, chien c, krystal m, wind-rotolo m, ray n, hanna gj, bertz r, grasela d. pharmacodynamics, safety, and pharmacokinetics of bms-663068, an oral hiv-1 attachment inhibitor in hiv-1-infected subjects. j infect dis. 2012;206(7):1002-11.
Spectrum DetailBack Directory
[Spectrum Detail]

BMS 626529(701213-36-7)1HNMR
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