N-De-4-ethyl-2-isopropylthiazole Ritonavir N-(Thiazol-5-ylmethyl ((2S,3S)-3-Hydroxy-1,6-diphenylhexan-2-yl)carbamate)

CAS: 2084828-53-3

Ref. TR-D228560

Product Information

• Name: N-De-4-ethyl-2-isopropylthiazole Ritonavir N-(Thiazol-5-ylmethyl ((2S,3S)-3-Hydroxy-1,6-diphenylhexan-2-yl)carbamate)
• Synonyms: 2,7,9,12,17-Pentaazaoctadecanedioic acid, 4,15-dihydroxy-10-(1-methylethyl)-8,11-dioxo-3,6,13,16-tetrakis(phenylmethyl)-, 1,18-bis(5-thiazolylmethyl) ester, (3S,4S,6S,10S,13S,15S,16S)

Description

Applications N-De-4-ethyl-2-isopropylthiazole Ritonavir N-(Thiazol-5-ylmethyl ((2S,3S)-3-Hydroxy-1,6-diphenylhexan-2-yl)carbamate) is an impurity of Ritonavir (R535000), a selective HIV protease inhibitor. It is a COVID19-related research product.
References Daluge, S., et al.: Antimicrob. Agents Chemother., 38, 1590 (1994); Ammaranond, P., et al.: J. Clin. Virol., 26, 153 (2003); Harrigan, P., et al.: J. Infect. Dis., 191, 339 (2005); Miller, J., et al.: Bioorg. Med. Chem. Lett., 16, 1788(2006)

• Brand: TRC

Chemical properties

• Molecular weight: 976.21
• Formula: C₅₂H₆₁N₇O₈S₂
• Color/Form: Neat
• InChI: InChI=1S/C52H61N7O8S2/c1-35(2)48(49(62)55-40(23-36-15-7-3-8-16-36)27-46(60)44(25-38-19-11-5-12-20-38)57-51(64)66-31-42-29-53-33-68-42)59-50(63)56-41(24-37-17-9-4-10-18-37)28-47(61)45(26-39-21-13-6-14-22-39)58-52(65)67-32-43-30-54-34-69-43/h3-22,29-30,33-35,40-41,44-48,60-61H,23-28,31-32H2,1-2H3,(H,55,62)(H,57,64)(H,58,65)(H2,56,59,63)/t40-,41-,44-,45-,46-,47-,48-/m0/s1
• InChI key: InChIKey=IEVZQBCSISXWBD-ANYBSYGZSA-N
• SMILES: Cc1ccc(N2c3ccc(/C=C(/c4ccccc4)C4CCCCC4)cc3C3CCCC32)cc1