1. Primary Information
| English name: | PF-06700841 tosylate |
| CAS No.: | 2140301-96-6 |
| Molecular formula: | C25H29F2N7O4S |
| Molecular weight: | 561.6 g/mol |
| SMILES: | CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=C(C=N1)NC2=NC=CC(=N2)N3CC4CCC(C3)N4C(=O)C5CC5(F)F |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 640 | -20°C | in stock | - |
| Kehua Intelligence | 10mg | 98% | 1120 | -20°C | in stock | - |
| Kehua Intelligence | 25mg | 98% | 2240 | -20°C | in stock | - |
| Kehua Intelligence | 50mg | 98% | 4000 | -20°C | in stock | - |
| Kehua Intelligence | 100mg | 98% | 7600 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(1S)-2,2-difluorocyclopropyl]-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone;4-methylbenzenesulfonic acid
4.2 InChI
InChI=1S/C18H21F2N7O.C7H8O3S/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24);2-5H,1H3,(H,8,9,10)/t12?,13?,14-;/m0./s1
4.3 InChIKey
FAKGOYNHHHOTEN-WTMFEIAXSA-N
4.4 Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=C(C=N1)NC2=NC=CC(=N2)N3CC4CCC(C3)N4C(=O)C5CC5(F)F
4.5 Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=C(C=N1)NC2=NC=CC(=N2)N3CC4CCC(C3)N4C(=O)[C@@H]5CC5(F)F
