Des-3-pyridylmethyl indinavir(>90%)

• CAS: 150323-38-9
• Catalog Number: ACM150323389
• Category: Main Products
• Molecular Weight: 522.68
• Molecular Formula: C₃₀H₄₂N₄O₄
• Synonyms: [1(1s,2r),5(S)]-2,3,5-Trideoxy-N-(2,3-Dihydro-2-Hydroxy-1h-Inden-1-Yl)-5-[2-[[(1,1-Dimethyl)Amino]Carbonyl]-1-Piperazinyl]-2-(Phenylmethyl)-D-Erythro-Pentonamide;[1(1S,2R),5(S)]-2,3,5-Trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-[2-[[(1,1-dimethyle
• IUPAC Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1...
• Boiling Point: 814.7ºC at 760 mmHg
• Flash Point: 446.5ºC
• Density: 1.22
• Appearance: Light brown solid
• Exact Mass: 538.31600

Case Study

Des-3-Pyridylmethyl Indinavir Used in Structural Study of HIV-1 Protease Inhibitors

Kuhnert, Maren, et al. Journal of Medicinal Chemistry, 2014, 57(14), 6266-6272.

Indinavir is a nonpeptide HIV protease inhibitor, and this work reveals the first crystal structure of HTLV-1 PR in complex with Indinavir. Among them, in order to study the influence of the pyridyl substituent of indinavir in more detail, indinavir and des-3-pyridyl methyl indinavir (DpmINV) were measured in a fluorometric method at 80, 40 and 8 Percent inhibition value at μM. The percent efficiency index (PEI) was calculated based on the percent inhibition value and molecular weight.
The results show that the affinity of the depyridylmethyl derivative is significantly lower compared to indinavir with a pyridyl moiety, which is also reflected in the higher PEI value of the latter. Although the pyridine ring does not establish an obvious polar interaction, its presence in indinavir apparently significantly increases the affinity of the ligand, although slight protein adaptation is required to achieve indinavir binding.