| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1421373-98-9 |
| Catalog No. | 2A-1170479 |
| Chinese Name | AZ-5104 |
| Synonyms | metabolite of AZD9291; AZ 5104; Demethylated AZ9291; AZ-5104 |
| Molecular Formula | C27H31N7O2 |
| Molecular Weight | 485.581 |
| Purity | 98.00 |
| Density | 1.3±0.1 g/cm3 |
| Appearance | solid powder |
| Water Solubility | Insoluble in water, soluble in DMSO |
| Storage Condition | cool dry place |
| Application | AZ-5104 is the active, demethylated metabolite of AZD 9291. AZ-5104 is an EGFR inhibitor; the IC50 values for inhibiting EGFRL858R/T790M, EGFRL858R, EGFRL861Q, EGFR and ErbB4 are 1, 6, 1, 25 and 7 n |
| PubChem ID | 163477650 |
| SMILES | C=CC(=O)Nc1cc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C |
| InChI | InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32) |
| InChI Key | IQNVEOMHJHBNHC-UHFFFAOYSA-N |
| Transport Info | Product name: AZ5104 |
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