| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Dasatinib analog-1 targets CYP3A4, a member of the cytochrome P450 superfamily of enzymes that plays a critical role in the metabolism of xenobiotics, including many drugs. CYP3A4 is the most abundant CYP enzyme in the human liver and is responsible for the metabolism of approximately 50% of clinically used drugs. By inhibiting CYP3A4 with a Ki of 5.4 μM, Dasatinib analog-1 can modulate drug metabolism and influence the pharmacokinetics of co-administered drugs.
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| ln Vitro |
Dasatinib analog-1 shows in vitro inhibition of CYP3A4 activity with a Ki value of 5.4 μM. The compound blocks the formation of glutathione adducts, suggesting that it may interfere with the formation of reactive metabolites. As a Dasatinib analog, it is used as a research tool to study CYP3A4-mediated drug metabolism and the mechanisms of drug-induced toxicity.
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| ln Vivo |
Dasatinib analog-1 is not a therapeutic compound and is not evaluated for in vivo activity in the traditional sense. Its primary application is in biochemical assays to study CYP3A4-mediated drug metabolism and the formation of reactive metabolites. The compound is used as a research tool to investigate drug-drug interactions and the mechanisms of drug-induced liver injury.
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| Enzyme Assay |
Non-cell-based enzyme assays for Dasatinib analog-1 typically involve measuring the inhibition of recombinant CYP3A4 activity using fluorogenic or luminescent substrates. A standard protocol includes incubating purified CYP3A4 enzyme with a substrate (such as 7-benzyloxy-4-trifluoromethylcoumarin (BFC) or luciferin-IPA) in assay buffer containing NADPH. Dasatinib analog-1 is added at various concentrations (0.1–100 μM), and the production of fluorescent or luminescent product is monitored. Ki values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for Dasatinib analog-1 are not typically performed as the compound is used primarily in biochemical assays to study CYP3A4 activity. If conducted, a representative protocol would include culturing hepatocytes or cells expressing CYP3A4 in appropriate medium, treating with Dasatinib analog-1 at various concentrations, and measuring CYP3A4 activity using a cell-permeable substrate.
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| Animal Protocol |
In vivo animal studies with Dasatinib analog-1 are not typically conducted as the compound is a research tool for biochemical studies rather than a therapeutic agent.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not typically evaluated for Dasatinib analog-1 as it is a research compound used in biochemical assays rather than a therapeutic agent. The compound is typically stored as a powder at -20°C.
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| Toxicity/Toxicokinetics |
As a research compound, Dasatinib analog-1 is not intended for human therapeutic use, and comprehensive toxicological data are not available. Standard laboratory safety precautions should be followed when handling the compound.
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| References | |
| Additional Infomation |
Dasatinib analog-1 (Compound 5826, CAS 1174416-41-1) is a Dasatinib analog that inhibits CYP3A4 activity with a Ki value of 5.4 μM. The compound blocks the formation of glutathione adducts. Dasatinib analog-1 is used as a research tool to study CYP3A4-mediated drug metabolism and the formation of reactive metabolites, providing insights into drug-drug interactions and drug-induced toxicity.
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| Exact Mass |
505.146
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|---|---|
| CAS # |
1174416-41-1
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| PubChem CID |
156635432
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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 |
10
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
34
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| Complexity |
677
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=CC(=C1NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO)Cl)F
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| InChi Key |
FCRGTVFXNINSGB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H25ClFN7O2S/c1-13-9-15(24)10-16(23)20(13)29-21(33)17-12-25-22(34-17)28-18-11-19(27-14(2)26-18)31-5-3-30(4-6-31)7-8-32/h9-12,32H,3-8H2,1-2H3,(H,29,33)(H,25,26,27,28)
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| Chemical Name |
N-(2-chloro-4-fluoro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
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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 :~25 mg/mL (~49.41 mM; ultrasonic and warming and adjust pH to 2 with 1M HCl and heat to 80°C)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (4.94 mM) 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; 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 and add it to 400 μL PEG300 and mix well. Then add 50 μL Tween-80 to the above system and mix well. Then continue to add 450 μL of physiological saline to make up 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 (4.94 mM) 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; 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 and add it to 900 μL of 20% SBE-β-CD saline solution and mix well. 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: 2.5 mg/mL (4.94 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one),clear solution; with ultrasonication. |
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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