Introduction：Basic information about CAS 847949-49-9|O-Desmethyl gefitinib, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | O-Desmethyl gefitinib |
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| CAS Number | 847949-49-9 | Molecular Weight | 432.87600 |
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| Density | 1.386g/cm3 | Boiling Point | 606.4ºC at 760 mmHg |
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| Molecular Formula | C21H22ClFN4O3 | Melting Point | 117-120ºC |
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| MSDS | / | Flash Point | 320.5ºC |
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Names
| Name | 4-(3-chloro-4-fluoroanilino)-6-(3-morpholin-4-ylpropoxy)-1H-quinazolin-7-one |
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| Synonym | More Synonyms |
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O-Desmethyl gefitinib BiologicalActivity
| Description | O-Desmethyl gefitinib is an active metabolite of Gefitinib in human plasma. The formation of O-desmethyl gefitinib is dependent on CYP2D6 activity. O-desmethyl gefitinib inhibits EGFR with an IC50 of 36 nM in subcellular assays[1][2]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>JAK/STAT Signaling >>EGFRSignaling Pathways >>Protein Tyrosine Kinase/RTK >>EGFR |
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| Target | IC50: 36 nM (EGFR)[2] |
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| References | [1]. Kobayashi H, et al. Effects of polymorphisms in CYP2D6 and ABC transporters and side effects induced by gefitinib on the pharmacokinetics of the gefitinib metabolite, O-desmethyl gefitinib. Med Oncol. 2016 Jun;33(6):57. [2]. McKillop D, et al. Minimal contribution of desmethyl-gefitinib, the major human plasma metabolite of gefitinib, to epidermal growth factor receptor (EGFR)-mediated tumour growth inhibition. Xenobiotica. 2006 Jan;36(1):29-39. |
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Chemical & Physical Properties
| Density | 1.386g/cm3 |
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| Boiling Point | 606.4ºC at 760 mmHg |
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| Melting Point | 117-120ºC |
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| Molecular Formula | C21H22ClFN4O3 |
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| Molecular Weight | 432.87600 |
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| Flash Point | 320.5ºC |
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| Exact Mass | 432.13600 |
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| PSA | 79.74000 |
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| LogP | 3.98350 |
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| Index of Refraction | 1.65 |
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| InChIKey | IFMMYZUUCFPEHR-UHFFFAOYSA-N |
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| SMILES | Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 |
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Safety Information
Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 7-Quinazolinol,4-[(3-chloro-4-fluorophenyl)amino]-6-[3-(4-morpholinyl)propoxy] |
| O-Desmethyl Gefitinib |
| O-Demethyl-Gefitinib |
| 4-[(3-Chloro-4-fluorophenyl)amino]-6-[3-(4-morpholinyl)propoxy]-7-quinazolinol |
| 4-(3'-chloro-4'-fluoroanilino)-7-hydroxy-6-(3-morpholinopropoxy)quinazoline |
| Gefitinib Impurity 1 |
