| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
BCR-ABL (and potentially other tyrosine kinases like c-KIT and PDGFR, similar to Imatinib).
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|---|---|
| ln Vitro |
In cell-free kinase assays, Imatinib Acid can be used as a competitive probe to study binding to the ATP-binding site of BCR-ABL. At concentrations ranging from 10-1000 nM, it can displace other labeled ligands, allowing the determination of binding affinities (IC50 values). The activity can be measured via ADP-Glo™ assays or by fluorescence polarization using a fluorescently labeled tracer.
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| Enzyme Assay |
Suitable for studying Imatinib-resistant mutations (e.g., T315I) in cellular models. Cells (e.g., K562 or Ba/F3 cells expressing BCR-ABL) are treated with varying concentrations (0.01-10 uM) of Imatinib Acid or fluorescently conjugated Imatinib Acid. Uptake and target engagement can be visualized by confocal microscopy, and downstream signaling (phospho-CRKL) can be measured by Western blot to assess inhibition.
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| Cell Assay |
Standard protocol: Dissolve Imatinib Acid in DMSO, then further dilute in PBS or corn oil for oral gavage or intraperitoneal (IP) injection. Administer to mice (e.g., 25-100 mg/kg) xenografted with BCR-ABL-driven tumors (e.g., K562). Collect blood and tumor tissues at 0, 1, 2, 4, 8, 24 h post-dose. Analyze drug concentrations by LC-MS/MS. Tumor growth inhibition and target (BCR-ABL) phosphorylation can be assessed as pharmacodynamic markers.
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| Animal Protocol |
As a derivative of Imatinib (MW ~551.6 g/mol), it is orally bioavailable. Imatinib Acid is expected to have high plasma protein binding (>90%). The terminal half-life in rats and mice is typically 3-6 hours. Metabolism is primarily mediated by CYP3A4, and excretion occurs through the bile into the feces. The pharmacokinetics can be altered by co-administration of CYP3A4 inducers (e.g., rifampicin) or inhibitors (e.g., ketoconazole).
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| ADME/Pharmacokinetics |
Imatinib Acid is an analogue of a known drug; toxicity likely mirrors the parent drug Imatinib but is less documented. Imatinib is known to cause edema, nausea, and myelosuppression in humans. For research use, caution should be exercised: handle as a potential mutagen and teratogen, using appropriate personal protective equipment (PPE) and safety protocols.
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| Toxicity/Toxicokinetics |
A potent probe for investigating kinase pharmacology and drug resistance mechanisms. Preclinical development allowed the identification of therapeutic strategies against resistant BCR-ABL mutations. Imatinib Acid itself has not been approved for human therapeutic use; it is strictly a research tool to model drug-protein interactions and inform the development of next-generation TKIs.
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| Exact Mass |
551.264
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|---|---|
| CAS # |
2741007-77-0
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| PubChem CID |
146014488
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| Appearance |
Off-white to light yellow solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
41
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| Complexity |
831
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)CCC(=O)O)NC4=NC=CC(=N4)C5=CN=CC=C5
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| InChi Key |
UBEXHJPGGGMXHS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C31H33N7O3/c1-22-4-9-26(19-28(22)36-31-33-13-10-27(35-31)25-3-2-12-32-20-25)34-30(41)24-7-5-23(6-8-24)21-38-17-15-37(16-18-38)14-11-29(39)40/h2-10,12-13,19-20H,11,14-18,21H2,1H3,(H,34,41)(H,39,40)(H,33,35,36)
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| Chemical Name |
3-[4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-yl]propanoic acid
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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: 250 mg/mL (453.19 mM)
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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.) |
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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