| Chemical & Physical Properties | |
|---|---|
| CAS Number | 936563-96-1 |
| Catalog No. | 2A-9092740 |
| Chinese Name | 依鲁替尼 |
| Synonyms | Imbruvica; PCI 32765; CRA-032765; PCI-32765; PCI-32765-00; Ibrutinib |
| Molecular Formula | C25H24O2N6 |
| Molecular Weight | 440.5 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 715.0±60.0 °C at 760 mmHg |
| Storage Condition | -20°C |
| Application | Ibrutinib (PCI-32765) is a selective, irreversible Btk inhibitor with an IC50 value of 0.5 nM. |
| PubChem ID | 49837088 |
| MDL Number | MFCD20261150 |
| SMILES | C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 |
| InChI | InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 |
| InChI Key | XYFPWWZEPKGCCK-GOSISDBHSA-N |
| MSDS | msds/92740_1_936563_96_1.pdf |
| Transport Info | Product Name: Ibrutinib |
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