ChemicalBook--->CAS DataBase List--->1133378-37-6

1133378-37-6

1133378-37-6 Structure

1133378-37-6 Structure
IdentificationBack Directory
[Name]

Darunavir-D9
[CAS]

1133378-37-6
[Synonyms]

TMC-114-d9
UIC-94017-d9
Darunavir-D9
Darunavir-d9
[(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](2-methylpropyl-d9)amino]-2-hydroxy-1-(phenyl-methyl)propyl]carabamic Acid (3R,3aS,6aR)-Hexahydrofuro[2,3-b]-furan-3-yl Ester
[(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](2-methylpropyl-d9)amino]-2-hydroxy-1-(phenyl-methyl)propyl]carabamic Acid (3R,3aS,6aR)-Hexahydrofuro[2,3-β]-furan-3-yl Ester
[Molecular Formula]

C27H37N3O7S
[MDL Number]

MFCD09840303
[MOL File]

1133378-37-6.mol
[Molecular Weight]

547.664
Chemical PropertiesBack Directory
[Appearance]

Off-White Amorphous Solid
[Melting point ]

74-760C
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

Off-White to Pale Beige
Hazard InformationBack Directory
[Chemical Properties]

Off-White Amorphous Solid
[Uses]

Labeled Darunavir, intended for use as an internal standard for the quantification of Darunavir by GC- or LC-mass spectrometry.
[Uses]

Second generation HIV-1-protease inhibitor; structurally similar to amprenavir. Antiviral
[Description]

Darunavir-d9 is intended for use as an internal standard for the quantification of darunavir (Item Nos. 15866 | 31083) by GC- or LC-MS. Darunavir is an HIV-1 protease inhibitor. It is active against HIV-1LAI in MT-2 cells (IC50 = 3 nM) with a cytotoxic concentration (CC50) of 74.4 μM. Darunavir is also active against wild-type and multidrug-resistant clinical isolates of HIV-1 in phytohemagglutinin-activated peripheral blood mononuclear cells (PHA-PBMCs; IC50s = 3 and 3-29 nM, respectively). It inhibits cell-free diffusion and cell-to-cell spread of HIV-1 in Jurkat cell populations (IC50s = 2.5 and 2.8 nM, respectively). Formulations containing darunavir have been used in combination therapy for the treatment of HIV.
[References]

[1] YASUHIRO KOH. Novel bis-tetrahydrofuranylurethane-containing nonpeptidic protease inhibitor (PI) UIC-94017 (TMC114) with potent activity against multi-PI-resistant human immunodeficiency virus in vitro.[J]. Antimicrobial Agents and Chemotherapy, 2003: 3123-3129. DOI: 10.1128/aac.47.10.3123-3129.2003
[2] BOGHUMA KABISEN TITANJI. Protease inhibitors effectively block cell-to-cell spread of HIV-1 between T cells.[J]. Retrovirology, 2013, 10: 161. DOI: 10.1186/1742-4690-10-161
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
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