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PCI-32765 (Ibrutinib)是Bruton酪氨酸激酶（BTK）的口服生物利用小分子抑制剂，具有潜在的抗肿瘤活性。对Bmx，CSK，FGR，BRK及HCK适度有效，对EGFR，Yes，ErbB2，JAK3等作用效果较弱。
Targets
| Target | Value |
|---|---|
| BTK | IC50: 0.5nM |
| BLK | IC50: 0.5nM |
| Bmx | IC50: 0.8nM |
| CSK | IC50: 2.3nM |
| FGR | IC50: 2.3nM |
| BRK | IC50: 3.3nM |
| Hck | IC50: 3.7nM |
| EGFR | IC50: 5.6nM |
| YES | IC50: 6.5nM |
| ErbB2 | IC50: 9.4nM |
| ITK | IC50: 10.7nM |
| JAK3 | IC50: 16.1nM |
| FRK | IC50: 29.2nM |
| LCK | IC50: 33.2nM |
| RET | IC50: 36.5nM |
| FLT3 | IC50: 73nM |
| TEC | IC50: 78nM |
| Abl | IC50: 86nM |
| Fyn | IC50: 96nM |
| RIPK2 | IC50: 152nM |
| c-Src | IC50: 171nM |
| Lyn | IC50: 200nM |
| PDGFRα | IC50: 718nM |
| Fms | IC50: 5.545μM |
| FER | IC50: 8.07μM |
| JAK1 | IC50: >10μM |
| JAK2 | IC50: >10μM |
| NEK2 | IC50: >10μM |
| p38 | IC50: >10μM |
| PI3K | IC50: >10μM |
| PLK1 | IC50: >10μM |
| RSK1 | IC50: >10μM |
| Syk | IC50: >10μM |
| In vitro (25°C) | DMSO | 81 mg/mL (183.88 mM) | |
| Water | Insoluble | ||
| Ethanol | 41 mg/mL (93.07 mM) | ||
| In vivo | 5% DMSO+30% PEG 300+5% Tween 80+ddH2O | 9 mg/mL | |
|
* <1 mg/ml means slightly soluble or insoluble. * Please note that Adooq tests the solubility of all compounds in-house, and the actual solubility may differ slightly from published values. This is normal and is due to slight batch-to-batch variations. |
|||
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 0.1 mM | 22.7 mL | 113.51 mL | 227.01 mL |
| 0.5 mM | 4.54 mL | 22.7 mL | 45.4 mL |
| 1 mM | 2.27 mL | 11.35 mL | 22.7 mL |
| 5 mM | 0.45 mL | 2.27 mL | 4.54 mL |
*The above data is based on the productmolecular weight 440.5 . Batch specific molecular weights may vary from batch to batch due to solvent of hydration, which will affect the solvent volumes required to prepare stock solutions.
| 目录号 | A11020 |
|---|---|
| 作用机制 | Inhibitor (抑制剂) |
| M. Wt | 440.5 |
| Formula | C25H24N6O2 |
| Purity | >99% |
| Storage | Store lyophilized at -20ºC, keep desiccated. |
| CAS No. | 936563-96-1 |
| Synonyms | Ibrutinib |
| SMILES | C=CC(=O)N1CCC[C@H](C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N |
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