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BMS-663068

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Category Human immunodeficiency Virus (HIV)
CAS 864953-29-7
Description BMS-663068 is an HIV-1 attachment inhibitor in development for the treatment of HIV-1 infection. It is a prodrug for BMS-626529, which binds to the viral envelope glycoprotein gp120 and interferes with attachment of the virus to the cellular CD4 receptor.
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Product Information

Synonyms Fostemsavir; BMS-663068; BMS 663068; BMS663068
Molecular Weight 583.49
Molecular Formula C25H26N7O8P
Canonical SMILES CC1=NN(C=N1)C2=NC=C(C3=C2N(C=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)COP(=O)(O)O)OC
InChI InChI=1S/C25H26N7O8P/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38)
InChIKey SWMDAPWAQQTBOG-UHFFFAOYSA-N
Boiling Point 904.1±75.0 °C at 760 mmHg
Flash Point 500.6±37.1 °C
Purity >98%
Density 1.6±0.1 g/cm3
Solubility In Vitro:
DMSO : ≥ 100 mg/mL(171.38 mM)
H2O : 20 mg/mL(34.28 mM;Need ultrasonic)
Appearance White to off-white (Solid)
Storage Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
Complexity 1020
Exact Mass 583.15804781
Index Of Refraction 1.723
In Vivo Fostemsavir (BMS-663068) has good antiviral activity in subjects infected with virus shown to be susceptible (IC50, <100 nM) to the agent.
PSA 192.02000
Target HIV
Vapor Pressure 0.0±0.3 mmHg at 25°C
XLogP3-AA -0.1

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