Molecular Weight: 435.28
Molecular Formula: C20H15BrN6O
Canonical SMILES: CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N
InChI: InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
InChIKey: PYGWGZALEOIKDF-UHFFFAOYSA-N
Boiling Point: 637.4±65.0 °C at 760 mmHg
Melting Point: 265 °C
Purity: >98%
Solubility: In Vitro:
DMSO : 50 mg/mL(114.87 mM;Need ultrasonic)
In Vivo:
1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline
Solubility: ≥ 2.5 mg/mL (5.74 mM); Clear solution
2.Add each solvent one by one:10% DMSO >> 90%corn oil
Solubility: ≥ 2.5 mg/mL (5.74 mM); Clear solution
Application: Reverse Transcriptase Inhibitors
Storage: Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
Synonyms: R165335; R-165335; R 165335; TMC 125; TMC-125; TMC125; Etravirine. Intelence.
DescriptionEtravirine (ETR, brand name Intelence, formerly known as TMC125) is a drug used for the treatment of HIV. Etravirine is a non-nucleoside reverse transcriptase inhibitor (NNRTI). Etravirine works by reducing the amount of HIV and increasing the number of CD4 or T cells in the blood. Unlike the currently available agents in the class, resistance to other NNRTIs does not seem to confer resistance to etravirine.
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