Completing data — refresh the page later to see the latest
Basic information
- CAS
939431-68-2- Standard SMILES
Cc1cc(C#N)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1- InChIKey
QELKPCHCXREHAE-UHFFFAOYSA-N- Molecular formula
- C20H16N6O
- Average molar mass
- 356.389 g/mol
- Monoisotopic mass
- 356.13855913
Names & identifiers
- Preferred name
- GE-0012
- IUPAC
- 4-{[6-Amino-2-(4-cyanoanilino)pyrimidin-4-yl]oxy}-3,5-dimethylbenzonitrile
- English name
- 4-({6-amino-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
- Molecular formula
- C20H16N6O
- Molecular weight
- 356.38
Names & synonyms
Etravirine Impurity 12Etravirine EP Impurity D4-[[6-amino-2-(4-cyanoanilino)-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile4-({6-amino-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile4-[[6-Amino-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile4-({6-amino-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzylnitrileBenzonitrile, 4-[[6-amino-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
Database identifiers
- CAS
939431-68-2- PubChem CID
- 486367
- DTXSID
DTXSID20333145- UNII
- X6ZC3L4U55
- EC Number
- 458-850-7
Properties
Physicochemical properties
- Melting point
- 284.5 · 284.5-287 °C
- Boiling point
- 632.1 · 632.1±65.0 °C
- FDA UNII
- 6 ZC3L4U55 · X6ZC3L4U55
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- REACH Registrations
- Active
Chemistry & industry
Applications
Uses4-[[6-Amino-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile is an impurity of Etravirine (E937000), which is a novel HIV reverse transcriptase inhibitor useful in treatment of HIV infection. It can be used as a novel HIV-1 NNRTIs by using its hydrophobic channel and tolerant regions of NNIBP. It can also be used to synthesize etravirine, a non-nucleoside reverse transcriptase inhibitor.
Suppliers12 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
安庆奇创药业有限公司18061456370 · [email protected]
济南睿通生物科技有限公司+86-16615778970 +86-16615778970 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
济南睿通生物科技有限公司1856-3757959 18563757959 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海巨启化学科技有限公司+86-021-34943721; +86-18616806816 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
3 records
Compound notes
Loading…