4-[[6-Chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile (Etravirine Impurity 23)

CAS: 1070377-34-2

Ref. TR-C380823

Product Information

• Name: 4-[[6-Chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile (Etravirine Impurity 23)
• Synonyms: 4-[[6-Chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-benzonitrile, Etravirine Impurity 23
• Brand: TRC

Description

Applications 4-[[6-Chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile is a by-product from the synthesis of Etravirine-d8 (E937003). Etravirine-d8 is a novel labelled HIV reverse transcriptase inhibitor useful in treatment of HIV infection.
References Scholler-Gyure, M., et al.: J. Clin. Pharmacol., 48, 322 (2008); Thakur, A., et al.: Eur. J. Med. Chem., 43, 471 (2008)

Chemical properties

• Molecular weight: 375.81
• Formula: C₂₀H₁₄ClN₅O
• Color/Form: Neat
• InChI: InChI=1S/C20H14ClN5O/c1-12-7-15(11-23)8-13(2)19(12)27-18-9-17(21)25-20(26-18)24-16-5-3-14(10-22)4-6-16/h3-9H,1-2H3,(H,24,25,26)
• SMILES: Cc1cc(C#N)cc(C)c1Oc1cc(Cl)nc(Nc2ccc(C#N)cc2)n1