Account TBK1/IKKε-IN-6
- Catalog No. :
- ACOPAK302
- CAS No. :
- 2306877-20-1
- Molecular Formula :
- C31H36F2N8O4
- Molecular Weight :
- 622.68
IUPAC Name:2-((3,3-difluoro-1-((R)-2-hydroxypropanoyl)piperidin-4-yl)oxy)-5-(2-((5-((R)-2,4-dimethylpiperazin-1-yl)-6-methoxypyridin-2-yl)amino)pyrimidin-4-yl)benzonitrile
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Product Information
| Product Name | TBK1/IKKε-IN-6 |
|---|---|
| IUPAC Name | 2-((3,3-difluoro-1-((R)-2-hydroxypropanoyl)piperidin-4-yl)oxy)-5-(2-((5-((R)-2,4-dimethylpiperazin-1-yl)-6-methoxypyridin-2-yl)amino)pyrimidin-4-yl)benzonitrile |
| Molecular Formula | C31H36F2N8O4 |
| Molecular Weight | 622.68 |
| SMILES | N#CC1=CC(C2=NC(NC3=NC(OC)=C(N4[C@H](C)CN(C)CC4)C=C3)=NC=C2)=CC=C1OC5C(F)(F)CN(C([C@H](O)C)=O)CC5 |
| InChI Key | ZYYSJDLMODJVDG-FUHTXCSMSA-N |
| Synonym | Benzonitrile, 2-[[3,3-difluoro-1-[(2R)-2-hydroxy-1-oxopropyl]-4-piperidinyl]oxy]-5-[2-[[5-[(2R)-2,4-dimethyl-1-piperazinyl]-6-methoxy-2-pyridinyl]amino]-4-pyrimidinyl]-;TBK1/IKKε-IN-6 |
| CAS No. | 2306877-20-1 |
Synthetic Route by SureRoute
2. ACOPAK302 Molecular Building Block Synthetic Route
4-((2S)-2-((2S)-2-(6-(3-((3-(((3R,4R,5S,6R)-2-((26-((S)-10-benzyl-1-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-27-oxo-2,5,8,11,14,17,20,23-octaoxa-29-thia-26-azadotriacontan-32-yl)oxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)-2,5-dioxopyrrolidin-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
![(1R)-1-[(1R)-1-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]ethyl]-2-[2-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]phenyl]Ferrocene structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/i33a/494227-30-4.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260803%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260803T093343Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%22494227-30-4.png%22&x-id=GetObject&X-Amz-Signature=a645412ff93e28fa2078408e72300c19eea4e9209fe0d85d03a4f9db976ae43b)
(1R)-1-[(1R)-1-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]ethyl]-2-[2-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]phenyl]Ferrocene
ACDNEY033