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| Targets |
ALW-II-49-7 targets Discoidin Domain Receptor 2 (DDR2) with an IC50 of 18.6 nM. It also inhibits DDR1 (IC50 = 12.4 nM) and Ephrin-family kinases, including EphB2 (EC50 = 40 nM in cells). It displays binding activity against a broader set of kinases including b-raf, CSF1R, EphA2, EphA5, EphA8, EphB1, EphB3, Frk, Kit, Lck, p38a, p38b, PDGFRa, PDGFRb, and Raf1.
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| ln Vitro |
ALW-II-49-7 (Compound 9) is selective for a number of targets, including binding to b-raf, CSF1R, DDR1, DDR2, EphA2, EphA5, EphA8, EphB1, EphB2, EphB3, Frk, Kit, Lck, p38a, and EphB2 at a concentration of 2 μg/mL p38b, PDGFRa, PDGFRb, and Raf1[1]. [1].
In vitro, ALW-II-49-7 (0.01-10 μM; 1 h) inhibits EphB2 kinase activity in U87 glioblastoma cells. In HEK293T cells transfected with wild-type DDR2, it decreases DDR2 phosphorylation in a dose-dependent manner (0.1-10 μM; 16 h). It also significantly inhibits DDR1 phosphorylation induced by collagen I and reduces collagen IV synthesis. |
| ln Vivo |
Specific in vivo activity data for ALW-II-49-7 are not extensively reported. The compound is primarily used as a research tool for in vitro kinase inhibition studies. Its potential for treating DDR2-mutated non-small cell lung cancer has been suggested.
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| Enzyme Assay |
The enzymatic activity of ALW-II-49-7 is assessed using kinase inhibition assays with recombinant DDR2, DDR1, and EphB2 proteins. Assays are performed in kinase buffer containing ATP and a peptide substrate, with the compound incubated at varying concentrations to calculate IC50/EC50 values.
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| Cell Assay |
The cellular activity of ALW-II-49-7 is evaluated in cancer cell lines such as U87 glioblastoma cells and HEK293T cells transfected with DDR2. Cells are treated with the compound, and target kinase phosphorylation is assessed by Western blot to confirm inhibition.
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| Animal Protocol |
Specific in vivo protocols for ALW-II-49-7 are not detailed in the available literature. In vivo evaluation would typically involve administration to tumor-bearing mouse models to assess efficacy and pharmacokinetics. The compound's selectivity profile supports its use in targeted cancer research.
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| ADME/Pharmacokinetics |
ALW-II-49-7 has a molecular formula of C21H17F3N4O2 and a molecular weight of 414.38. It is soluble in DMSO (10 mM). The compound is stored as a powder at -80°C for long-term stability. It exhibits excellent overall kinase selectivity against a panel of over 350 kinases.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for ALW-II-49-7 are not available in the cited literature. The compound is intended for research use only and not for human therapeutic applications. Standard laboratory safety precautions should be followed.
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| References | |
| Additional Infomation |
5-[2-methyl-5-[oxo-[3-(trifluoromethyl)anilino]methyl]anilino]-3-pyridinecarboxamide is one of the benzamide compounds.
ALW-II-49-7 is also known as DDR2-IN-1. It was reported in Bioorganic & Medicinal Chemistry Letters (2009) and ACS Chemical Biology (2015). It is a valuable tool for studying DDR2, DDR1, and Ephrin family kinase signaling in cancer and fibrosis research. |
| Molecular Formula |
C21H17F3N4O2
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|---|---|
| Molecular Weight |
414.380494832993
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| Exact Mass |
414.13
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| Elemental Analysis |
C, 60.87; H, 4.14; F, 13.75; N, 13.52; O, 7.72
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| CAS # |
1135219-23-6
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| Related CAS # |
1135219-23-6;ALW-II-49-7 HCl;
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| PubChem CID |
24875320
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| Appearance |
White to light yellow solid powder
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
30
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| Complexity |
616
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=CN=CC(=C3)C(=O)N
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| InChi Key |
SAAYRHKJHDIDPH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
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| Chemical Name |
5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3- carboxamide
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| Synonyms |
ALWII497; ALW II 49 7; ALW-II-49-7; DDR2-IN-1; DDR2 IN-1; DDR2IN-1:
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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 : ~100 mg/mL (~241.32 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.03 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 (6.03 mM) (saturation unknown) 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. 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 20% SBE-β-CD physiological saline solution and mix evenly. 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 (6.03 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4132 mL | 12.0662 mL | 24.1324 mL | |
| 5 mM | 0.4826 mL | 2.4132 mL | 4.8265 mL | |
| 10 mM | 0.2413 mL | 1.2066 mL | 2.4132 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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