O-Desmethyl gefitinib

Modify Date: 2024-01-18 17:25:55

O-Desmethyl gefitinib Structure
O-Desmethyl gefitinib structure
 Common Name O-Desmethyl gefitinib
CAS Number 847949-49-9 Molecular Weight 432.87600
Density 1.386g/cm3 Boiling Point 606.4ºC at 760 mmHg
Molecular Formula C21H22ClFN4O3 Melting Point 117-120ºC
MSDS N/A Flash Point 320.5ºC

 Use of O-Desmethyl gefitinib


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].

 Names

Name 4-(3-chloro-4-fluoroanilino)-6-(3-morpholin-4-ylpropoxy)-1H-quinazolin-7-one
Synonym More Synonyms

 O-Desmethyl gefitinib Biological Activity

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].
Related Catalog
Target

IC50: 36 nM (EGFR)[2]

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.

 Chemical & Physical Properties

Density 1.386g/cm3
Boiling Point 606.4ºC at 760 mmHg
Melting Point 117-120ºC
Molecular Formula C21H22ClFN4O3
Molecular Weight 432.87600
Flash Point 320.5ºC
Exact Mass 432.13600
PSA 79.74000
LogP 3.98350
Index of Refraction 1.65

 Safety Information

HS Code 2934999090

 Synthetic Route

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 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
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