Darunavir | B3086

Darunavir is an HIV-1 protease inhibitor with an IC₅₀ of 3 nM and cytoxicity of 74.4 μM. It is also also active against wild-type and multidrug-resistant clinical isolates of HIV-1 in phytohemagglutinin-activated peripheral blood mononuclear cells. Modelling studies have shown that darunavir can bind to papain like viral protease and may be beneficial in treating SARS-COV-2.

Darunavir is an HIV-1 protease inhibitor with an IC₅₀ of 3 nM and cytoxicity of 74.4 μM. It is also also active against wild-type and multidrug-resistant clinical isolates of HIV-1 in phytohemagglutinin-activated peripheral blood mononuclear cells. Modelling studies have shown that darunavir can bind to papain like viral protease and may be beneficial in treating SARS-COV-2.

B3086 | Darunavir DataSheet

Alternate Name/Synonyms: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate; Prezista; TMC114; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate; N-((1S,2R)-3-(((4-Aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-benzylpropyl)((1S,2R,5R)-4,6-dioxabicyclo(3.3.0)oct-2-yloxy)carboxamide; UIC-94017

Appearance: White to off-white solid powder

Formulation:

CAS Number: 206361-99-1

Structure Available?: TRUE

Peptide sequence:

Salt Form: FALSE

Molecular Formula: C₂₇H₃₇N₃O₇S

Molecular Weight: 547.7

Cell-Permeable?: True

Purity: ≥ 98%

Solubilities: ~30 mg/ml in DMF, ~25 mg/ml in DMSO

Handling: Do not take internally. Wear gloves and mask when handling the product! Avoid contact by all modes of exposure.

Country of Origin: USA

Tag Line: An HIV-1 protease inhibitor

MDL Number: MFCD09260006

PubChem CID: 213039

SMILES: CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N

InChi: InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1

InChi Key: CJBJHOAVZSMMDJ-HEXNFIEUSA-N