主记录
Brepocitinib
- CAS
- 1883299-62-4
- PubChem CID
- 118878093
- SMILES
- CN1C=C(C=N1)NC2=NC=CC(=N2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F
- 分子式
- C18H21F2N7O
- 分子量
- 389.41
- 精确分子量
- 389.1776
- InChI
- InChI=1S/C18H21F2N7O/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/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
- InChIKey
- BUWBRTXGQRBBHG-MJBXVCDLSA-N
- LogP
- 1.7885
- TPSA
- 79.18
名称与别名
- Brepocitinib
- Brepocitinib [USAN]
- PF-06700841
- Brepocitinib (USAN)
- RefChem:121326
- PF-06700841 free base
- BREPOCITINIB [INN]
- 1883299-62-4
- BREPOCITINIB [WHO-DD]
- 3X8387Q25N
- CHEMBL4297477
- SCHEMBL17512502
- UNII-3X8387Q25N
- US9663526, Example 7
- GTPL10459
- BUWBRTXGQRBBHG-MJBXVCDLSA-N
- BDBM329924
- DTXSID801091591
- BCP29931
- EBC-00709
- MFCD31813694
- PF-841
- WHO 11169
- PF06700841
- ZINC526061580
- DB15003
- Brepocitinib, PF-06700841 free base
- compound 23 [PMID: 30113844]
- NCGC00510805-01
- DA-56738