Cas no 847949-49-9 (O-Desmethyl Gefitinib)

O-Desmethyl Gefitinib is a primary active metabolite of Gefitinib, an epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor. This compound retains significant pharmacological activity, contributing to the therapeutic effects observed with Gefitinib administration. Its formation occurs via cytochrome P450-mediated metabolism, particularly CYP2D6, highlighting its role in drug metabolism studies. O-Desmethyl Gefitinib is of interest in pharmacokinetic and pharmacodynamic research due to its comparable inhibitory potency against EGFR mutations. The metabolite is also valuable for analytical reference standards in bioanalytical assays, ensuring accurate quantification of Gefitinib and its metabolites in biological matrices. Its well-characterized structure and stability make it suitable for preclinical and clinical investigations.
O-Desmethyl Gefitinib structure
O-Desmethyl Gefitinib structure
Product Name:O-Desmethyl Gefitinib
CAS No:847949-49-9
MF:C21H22ClFN4O3
MW:432.875787258148
MDL:MFCD09952182
CID:716488
PubChem ID:135496227
Update Time:2025-10-29

O-Desmethyl Gefitinib Chemical and Physical Properties

Names and Identifiers

    • 7-Quinazolinol,4-[(3-chloro-4-fluorophenyl)amino]-6-[3-(4-morpholinyl)propoxy]-
    • O-Desmethyl Gefitinib
    • 4-(3-chloro-4-fluoroanilino)-6-(3-morpholin-4-ylpropoxy)-1H-quinazolin-7-one
    • 4-[(3-chloro-4-fluorophenyl)amino]-6-[3-(4-morpholinyl)propoxy]-7-Quinazolinol
    • 4-(3'-chloro-4'-fluoroanilino)-7-hydroxy-6-(3-morpholinopropoxy)quinazoline
    • 7-Quinazolinol,4-[(3-chloro-4-fluorophenyl)amino]-6-[3-(4-morpholinyl)propoxy]
    • O-Demethyl-Gefitinib
    • 4-[(3-Chloro-4-fluorophenyl)amino]-6-[3-(4-morpholinyl)propoxy]-7-quinazolinol (ACI)
    • DTXCID10411921
    • NS00117207
    • 7-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-6-[3-(4-morpholinyl)propoxy]-; 4-[(3-Chloro-4-fluorophenyl)amino]-6-[3-(4-morpholinyl)propoxy]-7-quinazolinol; N-(3-Chloro-4-fluorophenyl)-7-hydroxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine; 4-[(3-Chloro-4-fluorophenyl)amino]-6-[3-(morpholin-4-yl)propoxy]quinazolin-7-ol
    • 53LPA3P6SI
    • 7-Quinazolinol,4-((3-chloro-4-fluorophenyl)amino)-6-(3-(4-morpholinyl)propoxy)
    • Gefitinib Impurity 11
    • CHEBI:143393
    • HY-100064
    • 4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-6-[3-(MORPHOLIN-4-YL)PROPOXY]QUINAZOLIN-7-OL
    • DA-66307
    • UNII-53LPA3P6SI
    • 4-(3-chloro-4-fluoroanilino)-6-(3-morpholin-4-ylpropoxy)quinazolin-7-ol
    • BCP15109
    • 847949-49-9
    • M-523595
    • Q27261113
    • 4-((3-Chloro-4-fluorophenyl)amino)-6-(3-morpholinopropoxy)quinazolin-7-ol
    • DTXSID50461102
    • M523595
    • AS-73692
    • 4-[(3-Chloro-4-fluorophenyl)amino]-7-hydroxy-6-(3-morpholinopropoxy)quinazoline
    • AKOS030242876
    • SCHEMBL19236250
    • CS-0018043
    • 4-[(3-Chloro-4-fluorophenyl)amino]-6-[3-(morpholin-4-yl)propoxy]quinazolin-7-ol (O-Demethylgefitinib)
    • MDL： MFCD09952182
    • Inchi： 1S/C21H22ClFN4O3/c22-16-10-14(2-3-17(16)23)26-21-15-11-20(19(28)12-18(15)24-13-25-21)30-7-1-4-27-5-8-29-9-6-27/h2-3,10-13,28H,1,4-9H2,(H,24,25,26)
    • InChI Key： IFMMYZUUCFPEHR-UHFFFAOYSA-N
    • SMILES： FC1C(Cl)=CC(NC2C3C(=CC(=C(C=3)OCCCN3CCOCC3)O)N=CN=2)=CC=1

Computed Properties

  • Exact Mass: 432.13600
  • Monoisotopic Mass: 432.1364464g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 7
  • Complexity: 531
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 79.7?2

Experimental Properties

  • Density: 1.386
  • Melting Point: 117-120?C
  • Boiling Point: 606.4°C at 760 mmHg
  • Flash Point: 320.5°C
  • Refractive Index: 1.65
  • PSA: 79.74000
  • LogP: 3.98350

O-Desmethyl Gefitinib Security Information

O-Desmethyl Gefitinib Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

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

O-Desmethyl Gefitinib Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI TAO SHU Biotechnology Co., Ltd.
T16369-1 mg
O-Desmethyl gefitinib
 847949-49-9 99.60%
1mg
 ￥1300.00 2022-02-28
SHANG HAI TAO SHU Biotechnology Co., Ltd.
T16369-5 mg
O-Desmethyl gefitinib
 847949-49-9 99.60%
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T16369-10 mg
O-Desmethyl gefitinib
 847949-49-9 99.60%
10mg
 ￥4388.00 2022-02-28
SHANG HAI TAO SHU Biotechnology Co., Ltd.
T16369-25 mg
O-Desmethyl gefitinib
 847949-49-9 99.60%
25mg
 ￥7898.00 2022-02-28
SHANG HAI TAO SHU Biotechnology Co., Ltd.
T16369-50 mg
O-Desmethyl gefitinib
 847949-49-9 99.60%
50mg
 ￥11847.00 2022-02-28
SHANG HAI TAO SHU Biotechnology Co., Ltd.
T16369-100 mg
O-Desmethyl gefitinib
 847949-49-9 99.60%
100MG
 ￥17777.00 2022-02-28
WU HAN AN JIE KAI Biomedical Technology Co., Ltd.
ajci73224-1mg
O-Desmethyl Gefitinib
 847949-49-9 98%
1mg
 ￥2101.00 2022-04-26
WU HAN AN JIE KAI Biomedical Technology Co., Ltd.
ajci73224-5mg
O-Desmethyl Gefitinib
 847949-49-9 98%
5mg
 ￥7783.00 2022-04-26
WU HAN AN JIE KAI Biomedical Technology Co., Ltd.
ajci73224-500ug
O-Desmethyl Gefitinib
 847949-49-9 98%
500ug
 ￥1396.00 2022-04-26
TRC
D291680-1mg
O-Desmethyl Gefitinib
 847949-49-9
1mg
 $ 155.00 2023-09-08

O-Desmethyl Gefitinib Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium chloride Solvents: Dimethylformamide ;  15 h, reflux; reflux → rt
Reference
Synthesis of [11C]iressa as a new potential PET cancer imaging agent for epidermal growth factor receptor tyrosine kinase
Wang, Ji-Quan; Gao, Mingzhang; Miller, Kathy D.; Sledge, George W.; Zheng, Qi-Huang, Bioorganic & Medicinal Chemistry Letters, 2006, 16(15), 4102-4106

Production Method 2

Reaction Conditions
1.1 Reagents: Pyridinium chloride ;  3 h, 170 °C
Reference
Facile synthesis of 7-amino anilinoquinazolines via direct amination of the quinazoline core
Harris, Craig S.; Kettle, Jason G.; Williams, Emma J., Tetrahedron Letters, 2005, 46(43), 7381-7384

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  6 h, rt
Reference
One-step radiosynthesis of 18F-IRS: A novel radiotracer targeting mutant EGFR in NSCLC for PET/CT imaging
Xiao, Zunyu; Song, Yan; Wang, Kai; Sun, Xilin; Shen, Baozhong, Bioorganic & Medicinal Chemistry Letters, 2016, 26(24), 5985-5988

Production Method 4

Reaction Conditions
1.1 Reagents: Pyridinium chloride ;  rt → 144 °C; 3 h, 144 °C
Reference
Development of a novel acetyl glucose-modified gefitinib derivative to enhance the radiosensitizing effect
Yamahana, Hirari; Kunieda, Yukari; Tominaga, Masahide; Yamada, Hisatsugu; Uto, Yoshihiro, Bioorganic & Medicinal Chemistry, 2021, 29,

O-Desmethyl Gefitinib Raw materials

O-Desmethyl Gefitinib Preparation Products

O-Desmethyl Gefitinib Related Literature

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