| Size | Price | Stock | Qty |
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| 1mg |
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| 2mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| Other Sizes |
| Targets |
The primary target of o-Desmethyl gefitinib is EGFR (epidermal growth factor receptor). It acts as a potent inhibitor of EGFR with an IC50 of 36 nM in subcellular assays. Its mechanism of action is similar to that of gefitinib, involving inhibition of EGFR tyrosine kinase activity. By inhibiting EGFR, it blocks downstream signaling pathways that promote cell proliferation and survival.
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| ln Vitro |
In vitro, o-Desmethyl gefitinib inhibits EGFR with an IC50 of 36 nM in subcellular assays. It is a potent inhibitor of EGFR tyrosine kinase, with activity comparable to that of gefitinib. Its inhibitory activity is typically measured using kinase assays with purified EGFR or cell lysates.
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| ln Vivo |
In vivo, o-Desmethyl gefitinib is an active metabolite of gefitinib and contributes to the overall pharmacological activity of the parent drug. It is present in human plasma following gefitinib administration and inhibits EGFR in vivo. Its effects on tumor growth are similar to those of gefitinib.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for o-Desmethyl gefitinib involve EGFR kinase assays using purified EGFR enzyme or cell lysates. The compound's inhibitory activity is measured by monitoring the phosphorylation of a substrate peptide or protein in the presence of ATP. IC50 values are determined from dose-response curves. Its selectivity for EGFR over other kinases can be assessed.
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| Cell Assay |
In vitro cellular assays for o-Desmethyl gefitinib are conducted in cancer cell lines that express EGFR, such as A431 or NSCLC cells. Cells are treated with the compound, and cell proliferation is measured using assays such as MTT or CellTiter-Glo. EGFR phosphorylation and downstream signaling (e.g., AKT, ERK) are assessed by western blotting.
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| Animal Protocol |
In vivo animal studies for o-Desmethyl gefitinib are not typically performed as a standalone compound, as it is a metabolite of gefitinib. However, its efficacy in animal models would be similar to that of gefitinib, which is studied in xenograft models of EGFR-driven cancers. Animals are administered gefitinib, and the levels of o-Desmethyl gefitinib and its effects on tumor growth are monitored.
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
O-Desmethylgefitinib is a known human metabolite of gefitinib. Pharmacokinetic properties of o-Desmethyl gefitinib indicate it has a molecular weight of 432.88 and a molecular formula of C21H22ClFN4O3. It is a metabolite of gefitinib formed in human plasma. Its pharmacokinetics are similar to those of gefitinib, with good oral bioavailability and distribution to tissues. |
| Toxicity/Toxicokinetics |
Toxicological information for o-Desmethyl gefitinib is similar to that of gefitinib. As an EGFR inhibitor, it may cause skin rash, diarrhea, and other side effects associated with EGFR inhibition. Its safety profile is well-characterized from clinical use of gefitinib.
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| References |
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| Additional Infomation |
O-Desmethylgefitinib belongs to the quinazoline class of compounds.
o-Desmethyl gefitinib is a major active metabolite of the anticancer drug gefitinib. It is a potent EGFR inhibitor. It is used in metabolomics and drug discovery research. It is available from research chemical suppliers for research applications. It is not a drug itself, but a metabolite used for research purposes. |
| Molecular Formula |
C21H22N4O3FCL
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|---|---|
| Molecular Weight |
432.87578
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| Exact Mass |
432.136
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| CAS # |
847949-49-9
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| Related CAS # |
O-Desmethyl gefitinib-d8;O-Desmethyl gefitinib-d6
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| PubChem CID |
135496227
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| Appearance |
Off-white to light yellow solid powder
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| 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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| Flash Point |
320.5ºC
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| Index of Refraction |
1.65
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| LogP |
3.983
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
30
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| Complexity |
531
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
IFMMYZUUCFPEHR-UHFFFAOYSA-N
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| InChi Code |
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)
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| Chemical Name |
4-(3-chloro-4-fluoroanilino)-6-(3-morpholin-4-ylpropoxy)quinazolin-7-ol
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~231.01 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.78 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (5.78 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3101 mL | 11.5505 mL | 23.1011 mL | |
| 5 mM | 0.4620 mL | 2.3101 mL | 4.6202 mL | |
| 10 mM | 0.2310 mL | 1.1551 mL | 2.3101 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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