BMS-663068 Tris

• CAT Number: I005195
• CAS Number: 864953-39-9
• Molecular Formula: C29H37N8O11P
• Molecular Weight: 704.62
• Purity: ≥95%
• Synonyms: 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium (3-(2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl)-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl)methyl hydrogenphosphate
• Target: gp120/CD4
• Solubility: 10 mM in DMSO
• Storage: Store at -20°C
• IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol;[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate
• 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
• 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

BMS-663068 Tris (Cat No.:I005195) is a selective inhibitor developed by Bristol-Myers Squibb that targets the gp120 envelope protein of HIV-1. By interfering with the binding of gp120 to the CD4 receptor, it prevents viral entry into host cells. This compound exhibits potent antiviral activity against a broad range of HIV-1 strains, including drug-resistant variants. BMS-663068 Tris holds promise as a potential therapeutic option for the treatment of HIV-1 infection, offering a new approach to combat the virus and its variants.

Reference

[1]. Nowicka-Sans B, Gong YF, McAuliffe B et al. In vitro antiviral characteristics of HIV-1 attachment inhibitor BMS-626529, the active component of the prodrug BMS-663068. Antimicrob Agents Chemother. 2012 Jul;56(7):3498-507. doi: 10.1128/AAC.00426-12.
[2]. Nettles RE, Schürmann D, Zhu L et al. Pharmacodynamics, safety, and pharmacokinetics of BMS-663068, an oral HIV-1 attachment inhibitor in HIV-1-infected subjects. J Infect Dis. 2012 Oct 1;206(7):1002-11. doi: 10.1093/infdis/jis432.
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[4]. Zhou N, Ray N, Healy M et al. Geno- and phenotypic correlates of virologic response to the attachment inhibitor BMS-626529 in an 8-day monotherapy study of its prodrug BMS-663068. J Int AIDS Soc. 2012 Nov 11;15(6):18270. doi: 10.7448/IAS.15.6.18270.
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[6]. Pharmacodynamics, Safety and Pharmacokinetics of BMS-663068, an HIV Attachment Inhibitor, in HIV-1
[7]. HIV Attachment Inhibitor to Treat Human Immunodeficiency Virus 1 (HIV-1) Infections