| Size | Price | Stock | Qty |
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| 1mg |
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| 2mg |
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| 5mg |
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| Targets |
Afatinib D6 targets the same enzymes as its unlabeled parent drug, Afatinib, which is an irreversible inhibitor of the epidermal growth factor receptor (EGFR) and ErbB2 (HER2), with IC50 values of 0.5 nM and 14 nM, respectively. Afatinib is a medication approved for the treatment of metastatic non-small cell lung cancer (NSCLC) that has certain EGFR mutations.
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| ln Vitro |
Afatinib D6 is primarily used as an analytical internal standard rather than for its pharmacological activity. Afatinib is an irreversible EGFR family inhibitor. It increases the cytotoxicity of adriamycin in a concentration-dependent manner in multidrug-resistant A549T lung cancer cells overexpressing P-glycoprotein.
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| ln Vivo |
Afatinib (20 mg/kg) reduces tumor growth in ErbB2-amplified NCI-N87 and NUGC4 gastric cancer mouse xenograft models. Formulations containing Afatinib have been used in the treatment of non-small cell lung cancer. Afatinib D6 serves as a critical tool in pharmacokinetic studies to accurately track drug absorption, distribution, metabolism, and excretion.
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| Enzyme Assay |
In vitro enzyme assays for Afatinib D6 are typically performed as part of analytical method validation. The compound is used as an internal standard in LC-MS/MS assays for the quantification of Afatinib. It is dissolved in an appropriate solvent and spiked into biological matrices at known concentrations. Calibration curves are generated by plotting the peak area ratio of Afatinib to Afatinib D6 against the concentration of Afatinib.
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| Cell Assay |
For in vitro cell-based assays, Afatinib D6 can be used in studies investigating Afatinib's cellular effects, though its primary use is as an analytical internal standard. Cancer cell lines are cultured and treated with the compound. EGFR inhibition is confirmed by measuring the phosphorylation of downstream signaling proteins via Western blot. Cell viability is assessed by MTT or CellTiter-Glo assays.
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| Animal Protocol |
In vivo animal studies with Afatinib D6 are primarily pharmacokinetic. The compound is administered orally to rodents, and blood samples are collected at predetermined time points. Plasma concentrations of both labeled and unlabeled Afatinib are analyzed by LC-MS/MS using Afatinib D6 as the internal standard. Pharmacodynamic effects can be evaluated in xenograft models, though the labeled compound's primary role is analytical.
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| ADME/Pharmacokinetics |
Afatinib D6 (CAS: 1313874-96-2) has a molecular weight of 491.98 g/mol and a molecular formula of C24H19ClD6FN5O3. Synonyms include BIBW 2992 D6 and Tovok D6. Solubility: DMF 30 mg/mL, DMSO 30 mg/mL, ethanol 30 mg/mL. Storage: -20°C. The D6 label provides a +6 Da mass shift for MS resolution.
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| Toxicity/Toxicokinetics |
Afatinib D6 is used in very small quantities as an analytical internal standard and does not pose significant toxicity risks under normal handling. As a deuterium-labeled analog of an approved drug, it is expected to have a similar pharmacological profile, but toxicology studies are not typically performed on the labeled compound. Afatinib is generally well-tolerated, with common side effects including diarrhea, rash, and stomatitis.
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| References | |
| Additional Infomation |
Afatinib D6 (BIBW 2992 D6) is a deuterium-labeled form of Afatinib, an irreversible inhibitor of EGFR and ErbB2 (HER2). It is intended for use as an internal standard for the quantification of Afatinib by GC- or LC-MS. Afatinib is approved for the treatment of metastatic non-small cell lung cancer with certain EGFR mutations. The compound is not intended for therapeutic use and is for research and analytical use only.
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| Molecular Formula |
C₂₄H₁₉D₆CLFN₅O₃
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|---|---|
| Molecular Weight |
491.98
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| Exact Mass |
491.201
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| CAS # |
1313874-96-2
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| Related CAS # |
Afatinib;850140-72-6;Afatinib oxalate;1398312-64-5
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| PubChem CID |
53254174
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
4.535
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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 |
8
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| Heavy Atom Count |
34
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| Complexity |
702
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| Defined Atom Stereocenter Count |
1
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| SMILES |
[2H]C([2H])([2H])N(C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4)C([2H])([2H])[2H]
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| InChi Key |
ULXXDDBFHOBEHA-VCXSEIMGSA-N
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| InChi Code |
InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1/i1D3,2D3
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| Chemical Name |
(E)-4-[bis(trideuteriomethyl)amino]-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]but-2-enamide
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| Synonyms |
Afatinib D6BIBW-2992 Gilotrif
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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: ≥ 30 mg/mL (~61.0 mM)
Ethanol: ≥ 30 mg/mL (~61.0 mM) DMF: ≥ 30 mg/mL (~61.0 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.54 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (12.5 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 1.25 mg/mL (2.54 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (12.5 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0326 mL | 10.1630 mL | 20.3260 mL | |
| 5 mM | 0.4065 mL | 2.0326 mL | 4.0652 mL | |
| 10 mM | 0.2033 mL | 1.0163 mL | 2.0326 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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