1070377-34-2

Basic information

• Product Name: 4-[6-Chloro-2-(4-cyano-phenylaMino)-pyriMidin-4-yloxy]-3,5-diMethyl-benzonitrile
• Synonyms: 4-[6-Chloro-2-(4-cyano-phenylaMino)-pyriMidin-4-yloxy]-3,5-diMethyl-benzonitrile;4-[6-Chloro-2-(4-cyano-phenylaMino)-pyriMidin-4-ylo×y]-3,5-diMethyl-benzonitrile;4-[[6-Chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile
• CAS NO: 1070377-34-2
• Molecular Formula: C₂₀H₁₄ClN₅O
• Molecular Weight: 375.81106
• EINECS: -0
• Mol File: 1070377-34-2.mol
• Article Data: 11

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• Solubility: Acetone, DMSO (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 4-[6-Chloro-2-(4-cyano-phenylaMino)-pyriMidin-4-yloxy]-3,5-diMethyl-benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[6-Chloro-2-(4-cyano-phenylaMino)-pyriMidin-4-yloxy]-3,5-diMethyl-benzonitrile(1070377-34-2)
• EPA Substance Registry System: 4-[6-Chloro-2-(4-cyano-phenylaMino)-pyriMidin-4-yloxy]-3,5-diMethyl-benzonitrile(1070377-34-2)

Safety Data

• Hazardous Substances Data: 1070377-34-2(Hazardous Substances Data)

Usage

Description

4-[6-Chloro-2-(4-cyano-phenylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile is a chemical compound that serves as a by-product in the synthesis of Etravirine-d8 (E937003), a novel labeled HIV reverse transcriptase inhibitor used in the treatment of HIV infection.

Uses

Used in Pharmaceutical Industry:
4-[6-Chloro-2-(4-cyano-phenylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile is used as a by-product in the synthesis of Etravirine-d8, a labeled HIV reverse transcriptase inhibitor, for the treatment of HIV infection. Its presence in the synthesis process may provide insights into the development of new compounds or methods for the production of HIV treatments.

Upstream product

• 1225383-63-0 4-[(2,6-dichloro)-4-pyrimidinyloxy]-3,5-dimethylbenzonitrile 
• 873-74-5 4-Aminobenzonitrile 
• 3764-01-0 2,4,6-trichloropyrimidine 
• 4198-90-7 3,5-dimethyl-4-hydroxybenzonitrile 
• 329187-59-9 4-(4,6-dichloropyrimidine-2-yl-amino)benzonitrile 
• 5637-42-3 1-(4-cyanophenyl)guanidine 
• 374067-80-8 4-((4,6-dihydroxypyrimidine-2-yl)amino)benzonitrile 
• 623-00-7 4-bromobenzenecarbonitrile 
• 623-03-0 4-Cyanochlorobenzene 

Relevant articles and documents

Design, synthesis and evaluation of novel HIV-1 NNRTIs with dual structural conformations targeting the entrance channel of the NNRTI binding pocket

On the basis of structure-based bioisosteric replacement and molecular hybridization strategy, a series of novel dual structural-conformation inhibitors targeting the "entrance channel" of HIV-1 NNRTIs binding pocket (NNIBP) were designed and synthesized.

Substituted pyrimidine derivatives, and preparation method and application thereof

The invention discloses substituted pyrimidine compounds as shown in general formulas I-VI which are described in the specification, preparation methods of the substituted pyrimidine compounds, and application of compositions containing one or more of the

Novel piperidinylamino-diarylpyrimidine derivatives with dual structural conformations as potent HIV-1 non-nucleoside reverse transcriptase inhibitors

A series of novel piperidinylamino-diarylpyrimidine (pDAPY) derivatives with dual structural conformations was designed through a molecular hybridization strategy and expected to bind into the non-nucleoside inhibitor binding pocket (NNIBP) of HIV-1 RT in