Indinavir sulfate

Base Information

• Chemical Name: Indinavir sulfate
• CAS No.: 157810-81-6
• Molecular Formula: C36H47N5O4^.H2SO4
• Molecular Weight: 711.87
• Hs Code.: 2933990090
• European Community (EC) Number: 682-418-9
• NSC Number: 697197
• UNII: 771H53976Q
• DSSTox Substance ID: DTXSID1044221
• Wikidata: Q27106928
• NCI Thesaurus Code: C1662
• ChEMBL ID: CHEMBL1735
• Mol file: 157810-81-6.mol

Synonyms:Crixivan;Indinavir;Indinavir Sulfate;Indinavir, Sulfate (1:1);L 735 524;L 735,524;L-735 524;L-735,524;L735 524;L735,524;MK 639;MK-639;MK639;Sulfate, Indinavir

Chemical Property of Indinavir sulfate

Chemical Property:

• Appearance/Colour: Crystalline solid
• Melting Point: 150-153 °C (dec)
• Boiling Point: 877.9 °C at 760 mmHg
• Flash Point: 484.7 °C
• PSA: 201.01000
• LogP: 3.95250
• Storage Temp.: -20°C Freezer
• Solubility.: Freely soluble in water, soluble in methanol, practically insoluble in heptane.
• Water Solubility.: >100g/L(temperature not stated)
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 711.33018471
• Heavy Atom Count: 50
• Complexity: 1030

Purity/Quality:

99.9% ^*data from raw suppliers

Indinavir Sulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• 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.OS(=O)(=O)O
• Isomeric SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.OS(=O)(=O)O
• Recent ClinicalTrials: A Study of Indinavir Sulfate Plus Zidovudine (AZT) Plus Lamivudine in HIV-Infected Patients Who Have Taken AZT for Six or More Months
• Recent EU Clinical Trials: Raltegravir-based regimen versus raltegravir-based regimen plus atorvastatin for reducing ?inflamaging? (aging-related complication) in HIV-infected patients older than 60 years.
• Description: Indinavir is an HIV-1 protease inhibitor (Ki = 0.358 nM). It is selective for HIV-1 protease over HIV-2 protease (Ki = 3.316 nM), as well as human cathepsin D, porcine pepsin, bovine chymosin, human plasma renin, Factor Xa, and elastase at 10 μM. It is also selective for wild-type HIV-1 protease over the protease inhibitor-resistant mutants A-44, K-60, and V-18 (Kis = 0.24, 15, 50, and 40 nM, respectively). Indinavir is active against multiple HIV-1 variants in cell-based assays (IC95s = 12-100 nM). Formulations containing indinavir have been used in combination with antiretroviral agents in the treatment of HIV infection.
• Uses: Member of the novel hydroxyaminopentane amide class of HIV-1 protease inhibitors. Antiviral Indinavir Sulfate is a member of the novel hydroxyaminopentane amide class of HIV-1 protease inhibitors. Antiviral. It is a COVID19-related research product.