| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 100mg | |||
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| Targets |
ALK inhibitor 1 targets ALK, a receptor tyrosine kinase involved in regulating cell growth, differentiation, and survival. It also targets TSSK2 (IC50 = 31 nM) and FAK (IC50 = 2 nM). It inhibits IGF-1R. By inhibiting ALK signaling, it blocks downstream pathways like PI3K/AKT, MAPK/ERK, and JAK/STAT.
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| ln Vitro |
ALK inhibitor 1 (compound 17) suppresses IGF-1R with an IC50 of 90 nM [1].
In vitro, ALK inhibitor 1 is a potent inhibitor of TSSK2 (IC50 = 31 nM) and FAK (IC50 = 2 nM). It inhibits ALK and IGF-1R. By inhibiting ALK signaling, it effectively blocks downstream pathways like PI3K/AKT, MAPK/ERK, and JAK/STAT, leading to reduced tumor growth and increased apoptosis. |
| ln Vivo |
In vivo activity data for ALK inhibitor 1 are limited. As a potent inhibitor of ALK, FAK, and TSSK2, it would be expected to exhibit antitumor efficacy in vivo, particularly in ALK-driven tumors. Further in vivo studies are needed to confirm its therapeutic potential.
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| Enzyme Assay |
In vitro kinase inhibition assays for ALK inhibitor 1 are conducted using recombinant ALK, TSSK2, FAK, and IGF-1R kinases. Kinase activity is measured using radiolabeled ATP or fluorescence-based assays. The compound is incubated with the kinase, substrate, and ATP at varying concentrations, and IC50 values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for ALK inhibitor 1 are performed using ALK-dependent cancer cell lines. Cells are treated with compound concentrations ranging from 0.1 nM to 10 µM. Cell viability is assessed using MTT or CCK-8 assays. ALK, FAK, and downstream signaling proteins (PI3K/AKT, MAPK/ERK, JAK/STAT) are analyzed by Western blotting. Apoptosis is evaluated by flow cytometry.
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| Animal Protocol |
In vivo animal studies for ALK inhibitor 1 would typically utilize tumor xenograft models of ALK-driven cancers. The compound is administered orally or intraperitoneally. Endpoints include tumor growth, survival, and histopathological evaluation. Biomarkers of ALK signaling inhibition are assessed in tumor tissues.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of ALK inhibitor 1 are not well characterized. The compound has a molecular weight of 546.47 and a molecular formula of C23H28BrN7O3S. Standard PK studies in rodents would be required to determine its half-life, bioavailability, and tissue distribution.
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| Toxicity/Toxicokinetics |
Toxicological data for ALK inhibitor 1 are limited. As a research compound, it is designated for laboratory use only. No significant acute toxicity has been reported. Standard toxicity screening would involve acute and repeated-dose studies in rodents.
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| References | |
| Additional Infomation |
ALK inhibitor 1 is a potent pyrimidine-based inhibitor of ALK, TSSK2 (IC50 = 31 nM), and FAK (IC50 = 2 nM). It inhibits ALK signaling and downstream pathways, leading to reduced tumor growth and increased apoptosis. It has a molecular weight of 546.47 and formula C23H28BrN7O3S. It is not clinically approved.
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| Molecular Formula |
C23H28BRN7O3S
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|---|---|
| Molecular Weight |
562.4825
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| Exact Mass |
561.116
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| CAS # |
761436-81-1
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| PubChem CID |
24857689
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| Appearance |
White to off-white solid powder
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| LogP |
4.364
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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 |
8
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| Heavy Atom Count |
35
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| Complexity |
765
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
FTSDLONCFCQDGA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H28BrN7O3S/c1-25-35(32,33)21-7-5-4-6-19(21)27-22-17(24)15-26-23(29-22)28-18-9-8-16(14-20(18)34-3)31-12-10-30(2)11-13-31/h4-9,14-15,25H,10-13H2,1-3H3,(H2,26,27,28,29)
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| Chemical Name |
2-[[5-bromo-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
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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) |
1M HCl : 100 mg/mL (~177.78 mM)
DMSO : ≥ 100 mg/mL (~177.78 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.44 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 25.0 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: ≥ 2.5 mg/mL (4.44 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7778 mL | 8.8892 mL | 17.7784 mL | |
| 5 mM | 0.3556 mL | 1.7778 mL | 3.5557 mL | |
| 10 mM | 0.1778 mL | 0.8889 mL | 1.7778 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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