Account ((S)-2,2-Difluorocyclopropyl)(3-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
- Catalog No. :
- ACRDUV718
- CAS No. :
- 1883299-62-4
- Molecular Formula :
- C18H21F2N7O
- Molecular Weight :
- 389.41
IUPAC Name:((S)-2,2-difluorocyclopropyl)(3-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
![((S)-2,2-Difluorocyclopropyl)(3-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | ((S)-2,2-Difluorocyclopropyl)(3-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone |
|---|---|
| IUPAC Name | ((S)-2,2-difluorocyclopropyl)(3-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone |
| MDL No. | MFCD31746619 |
| Molecular Formula | C18H21F2N7O |
| Molecular Weight | 389.41 |
| SMILES | FC1(F)C[C@H]1C(N2C3CCC2CN(C3)C4=NC(NC5=CN(C)N=C5)=NC=C4)=O |
| InChI Key | BUWBRTXGQRBBHG-RUXDESIVSA-N |
| Synonym | Brepocitinib | PF-06700841 free base | PF-06700841 | 1883299-62-4 | Brepocitinib [USAN] | 3X8387Q25N | Brepocitinib (USAN) | [(1S)-2,2-difluorocyclopropyl]-[(1S,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | [(1S)-2,2- |
| CAS No. | 1883299-62-4 |
| PubChem CID | 118878093 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACRDUV718 Molecular Building Block Synthetic Route
(2,2-Difluorocyclopropyl)(3-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
((S)-2,2-Difluorocyclopropyl)(3-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone 4-methylbenzenesulfonate
(2,2-Difluorocyclopropyl)(3-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone 4-methylbenzenesulfonate