| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| Targets |
Epidermal growth factor receptor (EGFR). Erlotinib directly inhibits EGFR tyrosine kinase activity with an IC50 of 2 nM for human EGFR.
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|---|---|
| ln Vitro |
Erlotinib D6 is a deuterium-labeled analog. The parent compound erlotinib is a directly acting EGFR tyrosine kinase inhibitor with an IC50 of 2 nM for human EGFR. It inhibits EGFR autophosphorylation and downstream signaling, inducing apoptosis and cell cycle arrest in EGFR-dependent cancer cells.
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| ln Vivo |
Erlotinib D6 is primarily used as an analytical reference standard. The parent compound erlotinib has been evaluated in clinical trials for NSCLC and pancreatic cancer. It shows efficacy in patients with EGFR mutations and is well tolerated.
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| Enzyme Assay |
EGFR kinase assays use recombinant EGFR kinase domain and a peptide substrate. The reaction contains assay buffer, ATP, peptide substrate, and serially diluted test compound. Phosphorylated peptide is detected by FRET or chemiluminescence. IC50 values are calculated from dose-response curves.
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| Cell Assay |
Cell-based assays for EGFR activity use cancer cell lines overexpressing EGFR (e.g., A431, HCC827, H1975). Cells are treated with serially diluted test compound, and EGFR autophosphorylation is assessed by Western blot. Cell proliferation is measured by MTT or BrdU incorporation.
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| Animal Protocol |
In vivo studies with Erlotinib D6 focus on pharmacokinetic characterization. Rats or mice are administered erlotinib, and plasma concentrations are measured by LC-MS/MS using the deuterated internal standard. Parameters such as Cmax, Tmax, AUC, t1/2, and clearance are determined.
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| References |
| Molecular Formula |
C22H23N3O4
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|---|---|
| Molecular Weight |
399.47
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| Exact Mass |
399.206
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| CAS # |
1034651-23-4
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| Related CAS # |
Erlotinib Hydrochloride;183319-69-9;Erlotinib-d6 hydrochloride;1189953-78-3;Erlotinib;183321-74-6;Erlotinib-13C6;1211107-68-4
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| PubChem CID |
24825688
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| Appearance |
White to off-white solid
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| LogP |
3.3
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| tPSA |
74.7
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
29
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| Complexity |
525
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])OCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC([2H])([2H])[2H]
|
| InChi Key |
AAKJLRGGTJKAMG-XERRXZQWSA-N
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| InChi Code |
InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)/i2D3,3D3
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| Chemical Name |
N-(3-ethynylphenyl)-6,7-bis[2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine
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| Synonyms |
CP-358774 D6 NSC-718781 D6 OSI-774 D6CP358774, NSC 718781CP-358,774 CP-358774 OSI-774 OSI 774 OSI774
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5033 mL | 12.5166 mL | 25.0332 mL | |
| 5 mM | 0.5007 mL | 2.5033 mL | 5.0066 mL | |
| 10 mM | 0.2503 mL | 1.2517 mL | 2.5033 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.
Products are for research use only; We do not sell to patients
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