Indinavir-sulfate-ethanolate

Category	HIV Protease
CAS	2563866-80-6
Description	Indinavir sulfate ethanolate (MK-639 ethanolate) is an orally active and selective HIV-1 protease inhibitor with a Ki of 0.54 nM for PR. Indinavir sulfate ethanolate exhibits anticancer activity by inhibiting the activation of MMPs-2 hydrolysis, anti-angiogenesis and inducing Apoptosis. Indinavir sulfate ethanolate is also a SARS-CoV 3CLpro inhibito.

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Synonyms	Indinavir sulfate ethanolate\|Indinavir (sulfate ethanolate)\|Crixivan (TN)\|UNII-34OB95C8AE\|SCHEMBL872173\|34OB95C8AE\|HY-B0689B\|Indinavir sulfate ethanolate (JAN)\|CS-0182696\|D02861\|Q27256376\|(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide;ethanol;sulfuric acid
Molecular Weight	757.94
Molecular Formula	C38H55N5O9S
Canonical SMILES	CCO.CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.OS(=O)(=O)O
Purity	≥98% (HPLC)
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid powder
Storage	Store at -20°C
Complexity	1040
Exact Mass	757.37204952
In Vitro	Indinavir sulfate (0-50 µM; 18 h) blocks lymphocyte cell cycle in G0/G1 phase in PBMCs cells and impairs lymphoproliferative responses. Indinavir sulfate (40 µM-40 nM; 5 days) inhibits cell invasion and (40 µM-40 nM; 48 h) MMPs-2 activation of the Huh7 and SK-HEP-1 hepatocarcinoma cells in vitro.
In Vivo	Indinavir sulfate (70 mg/kg; i.g.; once a day for 3 weeks) inhibits the growth of hepatocarcinoma cells in vivo.
Target	Apoptosis; MMP; HIV; HIV Protease; SARS-CoV