生物活性
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 |
化学数据
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. In lyophilized form, the chemical is stable for36 months. In solution, store at -20ºC and use within3 monthsto prevent loss of potency. Aliquot to avoid multiple freeze/thaw cycles. |
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 |
溶解度
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. |
储备液配制
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.