Description:
Darunavir is a second generation protease inhibitor that targets the HIV-1 protease. It demonstrates extremely potent activity against the infectivity and replication of various strains of HIV-1, including several that are resistant to first generation protease inhibitors (IC50s = 3-30 nM). Darunavir has been reported to inhibit both cell-free diffusion and cell-to-cell spread of HIV-1 with IC50 values of 2.5 and 2.8 nM, respectively.
- Molecular Weight: 547.67
- Molecular Formula: C27H37N3O7S
Purity: ≥98%
Canonical 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
InChIKey: CJBJHOAVZSMMDJ-HEXNFIEUSA-N
- Melting Point: >90°C (dec.)
- Solubility: In Vitro: DMSO : ≥ 100 mg/mL(182.60 mM)In Vivo: 1.Add each solvent one by one: 10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% salineSolubility: ≥ 2.5 mg/mL (4.56 mM); Clear solution2.Add each solvent one by one: 10% DMSO >> 90% (20%SBE-β-CDin saline)Solubility: ≥ 2.5 mg/mL (4.56 mM); Clear solution3.Add each solvent one by one: 10% DMSO >> 90%corn oilSolubility: ≥ 2.5 mg/mL (4.56 mM); Clear solution
- Appearance: White to Pale Beige Solid
- Application: HIV Protease Inhibitors
- Storage: Powder: -20°C: 3 years4°C: 2 yearsIn solvent: -80°C: 6 months-20°C: 1 month
Synonyms:
TMC-114; TMC 114; TMC114; Prezista
More details are to be found on supplier website
