Name | Darunavir |
Synonyms | D03656 TMC-114 Darunavir UIC-94017 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate [(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenyl-methyl)propyl]carabamic Acid (3R,3aS,6aR)-Hexahydrofuro[2,3-β]-furan-3-yl Ester [(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenyl-methyl)propyl]carabamic Acid (3R,3aS,6aR)-Hexahydrofuro[2,3-b]-furan-3-yl Ester |
CAS | 206361-99-1 |
EINECS | 606-590-1 |
InChI | InChI=1/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 |
Molecular Formula | C27H37N3O7S |
Molar Mass | 547.66 |
Density | 1.34±0.1 g/cm3(Predicted) |
Melting Point | 74-760C |
Solubility | Soluble in chloroform, and methanol. |
Appearance | White amorphous solid |
Color | white to beige |
pKa | 11.43±0.46(Predicted) |
Storage Condition | -20°C |
Stability | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months. |
Refractive Index | 1.62 |
Use | HIV protease inhibitors. An antiviral agent |
In vitro study | Darunavir (TMC114, 1a) has a stability comparable to other protease inhibitors. Darunavir (TMC114, UIC-94017) blocks the infectivity and replication of each of HIV-1 NL4-3 variants exposed to and selected for resistance to Ro 31-8959, MK-639, AG1341, or ABT 538 at concentrations up to 5 μM (IC 50 s, 0.003 to 0.029 μM), although it was less active against HIV-1 NL4-3 variants selected for resistance to VX-478 (IC 50 , 0.22 μM). |
WGK Germany | 3 |