Account N-(1-(((R)-1-Acryloylpyrrolidin-2-yl)methyl)-5-((((S)-3,3-dimethylbutan-2-yl)amino)methyl)-1H-benzo[d]imidazol-2-yl)-5-(difluoromethyl)thiophene-2-carboxamide
- Catalog No. :
- ACUBXL952
- CAS No. :
- 1575818-46-0
- Molecular Formula :
- C28H35F2N5O2S
- Molecular Weight :
- 543.68
IUPAC Name:N-(1-(((R)-1-acryloylpyrrolidin-2-yl)methyl)-5-((((S)-3,3-dimethylbutan-2-yl)amino)methyl)-1H-benzo[d]imidazol-2-yl)-5-(difluoromethyl)thiophene-2-carboxamide
![N-(1-(((R)-1-Acryloylpyrrolidin-2-yl)methyl)-5-((((S)-3,3-dimethylbutan-2-yl)amino)methyl)-1H-benzo[d]imidazol-2-yl)-5-(difluoromethyl)thiophene-2-carboxamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | N-(1-(((R)-1-Acryloylpyrrolidin-2-yl)methyl)-5-((((S)-3,3-dimethylbutan-2-yl)amino)methyl)-1H-benzo[d]imidazol-2-yl)-5-(difluoromethyl)thiophene-2-carboxamide |
|---|---|
| IUPAC Name | N-(1-(((R)-1-acryloylpyrrolidin-2-yl)methyl)-5-((((S)-3,3-dimethylbutan-2-yl)amino)methyl)-1H-benzo[d]imidazol-2-yl)-5-(difluoromethyl)thiophene-2-carboxamide |
| Molecular Formula | C28H35F2N5O2S |
| Molecular Weight | 543.68 |
| SMILES | C(N1C=2C(N=C1NC(=O)C=3SC(C(F)F)=CC3)=CC(CN[C@H](C(C)(C)C)C)=CC2)[C@@H]4N(C(C=C)=O)CCC4 |
| InChI Key | NXTKFBGDLDPFLB-PKOBYXMFSA-N |
| Synonym | 5-(Difluoromethyl)-N-(5-((((2S)-3,3-dimethylbutan-2-yl)amino)methyl)-1-(((2R)-1-prop-2-enoylpyrrolidin-2-yl)methyl)benzimidazol-2-yl)thiophene-2-carboxamide | GTPL9285 | 5-(Difluoromethyl)-N-(1-(((2R)-1-(1-oxo-2-propen-1-yl)-2-pyrrolidinyl)methyl)-5-((((1 |
| CAS No. | 1575818-46-0 |
| PubChem CID | 90044055 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACUBXL952 Molecular Building Block Synthetic Route
5-(DIFLUOROMETHYL)-N-[5-({[(2S)-3,3-DIMETHYLBUTAN-2-YL]AMINOMETHYL)-1-{[(2S)-1-(PROP-2-ENOYL)PYRROLIDIN-2-YL]METHYL-1H-1,3-BENZODIAZOL-2-YL]THIOPHENE-2-CARBOXAMIDE
ITK antagonist
(R,E)-N-(7-chloro-1-(1-(4-(dimethylamino)but-2-enoyl)azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide