BGC > Product Search > Darunavir

Molecular Formula: C27H37N3O7S
Molecular Weight: 547.66
WGKGermany: 3

Molecular Formula: C27H37N3O7S
Molecular Weight: 547.66
WGKGermany: 3

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
• Melting Point :> 90°C (dec.)
• Purity :≥98%

Molecular Formula :
C27H37N3O7S
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
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% saline Solubility: ≥ 2.5 mg/mL (4.56 mM); Clear solution 2.Add each solvent one by one:10% DMSO > > 90% (20%SBE-β-CDin saline) Solubility: ≥ 2.5 mg/mL (4.56 mM); Clear solution 3.Add each solvent one by one:10% DMSO > > 90%corn oil Solubility: ≥ 2.5 mg/mL (4.56 mM); Clear solution
Appearance :
White to Pale Beige Solid
Application :
HIV Protease Inhibitors
Storage : Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Synonyms :
TMC-114; TMC 114; TMC114; Prezista

More details are to be found here

Purity : 98%
Smile code : O=C(O[C@@H]1[C@@]2([H])[C@@](OCC2)([H])OC1)N[C@@H](CC3=CC=CC=C3)[C@H](O)CN(S(=O)(C4=CC=C(N)C=C4)=O)CC(C)C
MDL Number : MFCD09260006
MolFormula : C27H37N3O7S
MolWeight : 547.6636
Available in stock : 159.931

More details are to be found here

Purity : 98%
Smile code : O=C(O[C@@H]1[C@@]2([H])[C@@](OCC2)([H])OC1)N[C@@H](CC3=CC=CC=C3)[C@H](O)CN(S(=O)(C4=CC=C(N)C=C4)=O)CC(C)C
MDL Number : MFCD09260006
MolFormula : C27H37N3O7S
MolWeight : 547.6636
Available in stock : 159.931

More details are to be found here

Purity : 98%
Smile code : O=C(O[C@@H]1[C@@]2([H])[C@@](OCC2)([H])OC1)N[C@@H](CC3=CC=CC=C3)[C@H](O)CN(S(=O)(C4=CC=C(N)C=C4)=O)CC(C)C
MDL Number : MFCD09260006
MolFormula : C27H37N3O7S
MolWeight : 547.6636
Available in stock : 159.931

More details are to be found here

Purity : 98%
Smile code : O=C(O[C@@H]1[C@@]2([H])[C@@](OCC2)([H])OC1)N[C@@H](CC3=CC=CC=C3)[C@H](O)CN(S(=O)(C4=CC=C(N)C=C4)=O)CC(C)C
MDL Number : MFCD09260006
MolFormula : C27H37N3O7S
MolWeight : 547.6636
Available in stock : 159.931

More details are to be found here

Purity : 98%
Smile code : O=C(O[C@@H]1[C@@]2([H])[C@@](OCC2)([H])OC1)N[C@@H](CC3=CC=CC=C3)[C@H](O)CN(S(=O)(C4=CC=C(N)C=C4)=O)CC(C)C
MDL Number : MFCD09260006
MolFormula : C27H37N3O7S
MolWeight : 547.6636
Available in stock : 159.931

More details are to be found here