CAS Number1110813-31-4
SynonymsDacomitinib [USAN]; Dacomitinib (USAN/INN); (2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide; (2e)-N-{4-[(3-Chloro-4-Fluorophenyl)amino]-7-Methoxyquinazolin-6-Yl}-4-(Piperidin-1-Yl)but-2-Enamide; (2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl}-4-(1-piperidinyl)-2-butenamide; Dacomitinib; PF299804; PF-299804
Molecular FormulaC24H25ClFN5O2
Molecular Weight469.939
Purity98%%
Density1.3±0.1 g/cm3
Boiling Point665.7±55.0 °C at 760 mmHg
AppearanceSolid;White to Light yellow powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1110813-31-4 |
| Catalog No. | 2A-1170221 |
| Chinese Name | 达克替尼 |
| Synonyms | Dacomitinib [USAN]; Dacomitinib (USAN/INN); (2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide; (2e)-N-{4-[(3-Chloro-4-Fluorophenyl)amino]-7-Methoxyquinazolin-6-Yl}-4-(Piperidin-1-Yl)but-2-Enamide; (2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl}-4-(1-piperidinyl)-2-butenamide; Dacomitinib; PF299804; PF-299804 |
| Molecular Formula | C24H25ClFN5O2 |
| Molecular Weight | 469.939 |
| Purity | 98% |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 665.7±55.0 °C at 760 mmHg |
| Appearance | Solid;White to Light yellow powder to crystal |
| Storage Condition | <0°C; avoid heating |
| Application | Dacomitinib is a specific, irreversible inhibitor of the ERBB family, with IC50s of 6 nM, 45.7 nM and 73.7 nM for EGFR, ERBB2 and ERBB4, respectively. |
| HTC | 29335990 |
| PubChem ID | 16613030 |
| SMILES | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1 |
| InChI | InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+ |
| InChI Key | LVXJQMNHJWSHET-AATRIKPKSA-N |
| Transport Info | Product Name: Dacomitinib (PF299804, PF299) |
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