| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1197953-54-0 |
| Catalog No. | 2A-1173728 |
| Chinese Name | 布格替尼 |
| Synonyms | AP 26113; AP26113 |
| Molecular Formula | C29H39O2N7Cl1P1 |
| Molecular Weight | 584.1 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 781.8±70.0 °C at 760 mmHg |
| Appearance | White to yellow or light green solid |
| Storage Condition | 2-8°C |
| Application | Brigatinib is a potent and selective ALK inhibitor with an IC50 value of 0.6 nM. |
| PubChem ID | 85740478 |
| MDL Number | MFCD29472221 |
| SMILES | COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 |
| InChI | InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34) |
| InChI Key | AILRADAXUVEEIR-UHFFFAOYSA-N |
| MSDS | msds/174036_1_1197953_54_0.pdf |
| Transport Info | Product name: Brigatini (AP26113) |
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