BMS-663068 Tris

Category	Human immunodeficiency Virus (HIV)
CAS	864953-39-9
Description	BMS-663068 tris is an HIV-1 attachment inhibitor in development for the treatment of HIV-1 infection.

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Synonyms	Fostemsavir Tris; Fostemsavir tromethamine; BMS-663068 Tris; BMS 663068 Tris; BMS663068 Tris
Molecular Weight	704.62
Molecular Formula	C29H37N8O11P
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.C(C(CO)(CO)N)O
InChI	InChI=1S/C25H26N7O8P.C4H11NO3/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;5-4(1-6,2-7)3-8/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38);6-8H,1-3,5H2
InChIKey	RRGJSMBMTOKHTE-UHFFFAOYSA-N
Purity	>98%
Solubility	In Vitro: DMSO : 125 mg/mL(177.40 mM;Need ultrasonic) H2O : 100 mg/mL(141.92 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.08 mg/mL (2.95 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 2.08 mg/mL (2.95 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.08 mg/mL (2.95 mM); Clear solution
Appearance	White to off-white (Solid)
Storage	Store at -20°C
In Vivo	Fostemsavir Tris has good antiviral activity in subjects infected with virus shown to be susceptible (IC50, <100 nM) to the agent.
Target	HIV-1