Indinavir

Category	HIV Protease
CAS	150378-17-9
Description	Indinavir is a member of the novel hydroxyaminopentane amide class of HIV-1 protease inhibitors. Indinavir is used as an antiviral.

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Synonyms	Crixivan; MK-639; L-735524; MK639; L735524; MK 639; L 735524
IUPAC Name	(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
Molecular Weight	613.79
Molecular Formula	C36H47N5O4
Canonical SMILES	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
InChI	InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1
InChIKey	CBVCZFGXHXORBI-PXQQMZJSSA-N
Boiling Point	831.6±75.0 °C at 760 mmHg
Melting Point	150-153°C
Flash Point	456.8±37.1 °C
Purity	>98%
Density	1.2±0.1 g/cm3
Solubility	In Vitro: 10 mM in DMSO
Appearance	Solid powder
Application	HIV Protease Inhibitors
Storage	Store at -20°C
Complexity	952
Exact Mass	613.36280500
Index Of Refraction	1.629
In Vitro	Indinavir (0-50 µM; 18 h) blocks lymphocyte cell cycle in G0/G1 phase in PBMCs cells and impairs lymphoproliferative responses. Indinavir (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 (70 mg/kg; i.g.; once a day for 3 weeks) inhibits the growth of hepatocarcinoma cells in vivo.
PSA	118.03000
Target	HIV; HIV Protease; Apoptosis; MMP; SARS-CoV
Vapor Pressure	0.0±3.2 mmHg at 25°C
XLogP3-AA	2.8