Darunavir (Ethanolate)

Darunavir ethanolate (TMC114 Ethanolate) is a potent HIV protease inhibitor used to treat and prevent HIV/AIDS. Darunavir has a Ki of 1 nM for wild type HIV-1 protease.

Product Specifications

CAS Number

[635728-49-3]

Product Name Alternative

TMC114 (Ethanolate)

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

HIV; HIV Protease

Type

Reference compound

Related Pathways

Anti-infection; Metabolic Enzyme/Protease

Applications

COVID-19-anti-virus

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/Darunavir-Ethanolate.html

Purity

99.93

Solubility

DMSO : ≥ 50 mg/mL

Smiles

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.CCO

Molecular Formula

C29H43N3O8S

Molecular Weight

593.73

Precautions

H302, H315, H319, H335

References & Citations

[1]Tie Y, et al. High resolution crystal structures of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) active against multi-drug-resistant clinical strains. J Mol Biol. 2004 Apr 23;338 (2) :341-52.|[2]McKeage K, et al. Darunavir: a review of its use in the management of HIV infection in adults. Drugs. 2009;69 (4) :477-503.|[3]Bhalekar MR, et al. In-vivo bioavailability and lymphatic uptake evaluation of lipid nanoparticulates of darunavir. Drug Deliv. 2016 Sep;23 (7) :2581-2586.