Account JNJ-38893777
- Catalog No. :
- ACHJDO781
- CAS No. :
- 951135-00-5
- Molecular Formula :
- C26H26F6N6
- Molecular Weight :
- 536.52
IUPAC Name:2-(piperidin-1-yl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
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Product Information
| Product Name | JNJ-38893777 |
|---|---|
| IUPAC Name | 2-(piperidin-1-yl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine |
| Molecular Formula | C26H26F6N6 |
| Molecular Weight | 536.52 |
| SMILES | FC(F)(F)C1=CC=CN=C1N2CCC3=NC(N4CCCCC4)=NC(NC5=CC=C(C=C5)C(F)(F)F)=C3CC2 |
| InChI Key | MRHHSXHMRZMNIM-UHFFFAOYSA-N |
| Synonym | JNJ-38893777;2-(piperidin-1-yl)-N-(4-(trifluoroMethyl)phenyl)-7-(3-(trifluoroMethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyriMido[4,5-d]azepin-4-aMine;JNJ-38893777 (JNJ38893777);5H-Pyrimido[4,5-d]azepin-4-amine, 6,7,8,9-tetrahydro-2-(1-piperidinyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]- |
| CAS No. | 951135-00-5 |
Synthetic Route by SureRoute
2. ACHJDO781 Molecular Building Block Synthetic Route
Anticancer agent 98
![(2S,4R)-1-((S)-2-(3-(3-((S)-2-(((7-(8-Chloronaphthalen-1-yl)-4-((S)-3-(cyanomethyl)-4-(2-fluoroacryloyl)piperazin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxy)methyl)pyrrolidin-1-yl)propoxy)propanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/rmdx/2502156-03-6.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260803%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260803T183638Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%222502156-03-6.png%22&x-id=GetObject&X-Amz-Signature=30fc1bbd76b237b8009a73775b4f28596d7a2107071cdaac235954bf883563b1)
(2S,4R)-1-((S)-2-(3-(3-((S)-2-(((7-(8-Chloronaphthalen-1-yl)-4-((S)-3-(cyanomethyl)-4-(2-fluoroacryloyl)piperazin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxy)methyl)pyrrolidin-1-yl)propoxy)propanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
(2S,4S)-1-((S)-2-(3-(3-((S)-2-(((7-(8-Chloronaphthalen-1-yl)-4-((S)-3-(cyanomethyl)-4-(2-fluoroacryloyl)piperazin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxy)methyl)pyrrolidin-1-yl)propoxy)propanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide