| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Desmethyl Erlotinib targets the epidermal growth factor receptor (EGFR) tyrosine kinase. As an active metabolite of erlotinib, it retains the ability to inhibit EGFR autophosphorylation in tumor cells. Its mechanism of action is similar to that of the parent drug, involving the inhibition of EGFR signaling pathways.
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|---|---|
| ln Vitro |
In vitro, desmethyl erlotinib is an active metabolite of erlotinib that inhibits EGFR tyrosine kinase activity. Erlotinib itself has an IC₅₀ of 2 nM for the inhibition of human EGFR and 20 nM for the inhibition of EGFR autophosphorylation in tumor cells. The metabolite contributes to the overall antiproliferative effect of the drug.
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| ln Vivo |
In a pharmacokinetic investigation conducted in Wistar rats, desmethyl erlotinib showed a t1/2 of 11.96±2.01 h[1].
In vivo, desmethyl erlotinib is a bioactive metabolite of erlotinib. It is formed in the body and contributes to the therapeutic efficacy of the parent drug. Its pharmacokinetic profile is studied to understand the overall disposition and activity of erlotinib in patients. |
| Enzyme Assay |
In vitro assays for desmethyl erlotinib typically involve its use as a reference standard in LC-MS methods. The compound is used to quantify the metabolite in biological samples. Its kinase inhibitory activity can be measured using cell-free kinase assays with recombinant EGFR.
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| Cell Assay |
For in vitro cell assays, cancer cell lines expressing EGFR (e.g., A431, HCC827) are cultured and treated with desmethyl erlotinib. Cell proliferation is assessed by MTT or SRB assays. EGFR phosphorylation is measured by Western blot to confirm target inhibition. The compound's potency is compared to that of erlotinib.
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| Animal Protocol |
For in vivo animal studies, desmethyl erlotinib is measured in plasma and tissue samples after administration of erlotinib. The compound is quantified by LC-MS to determine the pharmacokinetic parameters of the parent drug and its metabolite. Its contribution to the overall antitumor effect is evaluated in xenograft models.
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| ADME/Pharmacokinetics |
Desmethyl Erlotinib (MW 379.41) has the molecular formula C₂₁H₂₁N₃O₄. It is a crystalline solid with a purity of ≥98%. The compound is stable under recommended storage conditions. It is soluble in DMSO and other organic solvents. It is also known as OSI-420 and CP-473420.
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| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available for desmethyl erlotinib. As an active metabolite of a kinase inhibitor, its toxicity profile is expected to be related to the parent drug. Standard laboratory safety precautions should be followed.
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| References | |
| Additional Infomation |
Structure in the first source
Desmethyl Erlotinib (CAS# 183321-86-0) is the bioactive metabolite of the anticancer drug erlotinib. It has not been approved as a therapeutic agent. The compound is used in pharmacokinetic studies of erlotinib and as a reference standard for analytical method development. It is also known as OSI-420. |
| Molecular Formula |
C21H21N3O4
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|---|---|
| Molecular Weight |
379.41
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| Exact Mass |
379.153
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| CAS # |
183321-86-0
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| Related CAS # |
Desmethyl Erlotinib hydrochloride;183320-51-6;Desmethyl Erlotinib-d4;1216420-11-9
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| PubChem CID |
10317566
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
572.8±50.0 °C at 760 mmHg
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| Flash Point |
300.2±30.1 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.644
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| LogP |
1.75
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
28
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| Complexity |
511
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCO
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| InChi Key |
KOQIAZNBAWFSQM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H21N3O4/c1-3-15-5-4-6-16(11-15)24-21-17-12-19(27-8-7-25)20(28-10-9-26-2)13-18(17)22-14-23-21/h1,4-6,11-14,25H,7-10H2,2H3,(H,22,23,24)
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| Chemical Name |
2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol
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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: 125 mg/mL (329.46 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.48 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 20.8 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: ≥ 2.08 mg/mL (5.48 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (5.48 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6357 mL | 13.1784 mL | 26.3567 mL | |
| 5 mM | 0.5271 mL | 2.6357 mL | 5.2713 mL | |
| 10 mM | 0.2636 mL | 1.3178 mL | 2.6357 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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