Etravirine is a diarylpyrimidine non-nucleoside reverse transcriptase inhibitor. Etravirine is designed to be active against HIV isolates with mutations that confer resistance to the two most commonly prescribed first-generation NNRTIs. It can bind the enzyme reverse transcriptase (RT) in multiple conformations, both for native and mutant RT, thereby blocking the enzymatic activity of RT.

 

Brand: BCM

 

Boiling Point: 637.4℃ at 760mmHg

 

Sensitivity: Sensitive to heat and light.

 

Signaling Pathways: Proteases/Proteasome; Microbiology/Virology

 

Solubility: Soluble in DMSO. Insoluble in Ethanol; insoluble in Water.

 

pKa: 1.23±0.10(Predicted)

 

GHS: GHS09

 

Isomeric SMILES: CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N  

 

InChIKey: PYGWGZALEOIKDF-UHFFFAOYSA-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) 

 

Attribute
[Chem Name]	4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
[Synonym]	Etravirine; TMC125; R-165335
[CAS No.]	269055-15-4
[EINECS]	682-331-6
[MDL No.]	MFCD09837879
[Formula]	C20H15BrN6O
[Molecular]	435.28
[Form]	White to Off-White Solid
[Storage]	Keep in dark place. Inert atmosphere. Store in freezer, under -20°C

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