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| IUPAC Name: | 4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine |
| Description: | N1-[2-(Dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-3-indolyl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine (CAS# 1421372-67-9) is a derivative of Osimertinib(A808075) a selective EGFR inhibitor, used in the treatments of nonsmall-cell lung cancer (NSCLC). Desacrylamide-Nitro-Osimertinib can be used as a potent EGFRL858R/T790M inhibitor. |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C25H29N7O3 |
| Canonical SMILES: | CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=CC(=C(C=C4OC)N(C)CCN(C)C)[N+](=O)[O-] |
| InChI: | InChI=1S/C25H29N7O3/c1-29(2)12-13-30(3)22-15-24(35-5)20(14-23(22)32(33)34)28-25-26-11-10-19(27-25)18-16-31(4)21-9-7-6-8-17(18)21/h6-11,14-16H,12-13H2,1-5H3,(H,26,27,28) |
| InChI Key: | PKEPAQKEINNCAB-UHFFFAOYSA-N |
| Appearance: | Powder |
| MDL: | MFCD28167947 |
| LogP: | 4.88970 |
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