| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
DDR1 7.36 nM (IC50)
DDR1 (discoidin domain receptor family member 1). DDR1-IN-5 is a selective inhibitor of DDR1, with an IC50 of 4.1 nM for DDR1b (Y513) autophosphorylation. It exhibits potent anti-cancer activity. |
|---|---|
| ln Vitro |
In human hepatic stellate cell LX-2, DDR1-IN-5 (compound 121; for 24 hours) inhibits collagen production (IC50=62 nM)[1]. In LX-2 cells, DDR1-IN-5 (72 hours) exhibits cytotoxicity (CC50>40 μM)[1].
DDR1-IN-5 inhibits autophosphorylation of DDR1b (Y513) with an IC50 of 4.1 nM. It is a potent and selective DDR1 inhibitor with strong anti-cancer activity. The click chemistry handle (Alkyne group) allows it to be used in CuAAc reactions for conjugation to probes or for generating chemical tools to study DDR1 biology. |
| ln Vivo |
DDR1-IN-5 displays anti-cancer activity. It is used as a research tool to study the role of DDR1 in pathological processes like tumor progression and fibrotic tissue responses. Its specificity and click chemistry functionality make it valuable for chemical biology, drug discovery, and developing targeted therapies for DDR1-driven diseases.
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| Enzyme Assay |
Cell-free DDR1 kinase assays are performed using recombinant human DDR1b enzyme. The compound is incubated with the enzyme and ATP to allow for phosphorylation. The autophosphorylation level of DDR1b at Y513 is measured using a specific antibody in an ELISA or AlphaLISA format. IC50 is determined from dose-response curves.
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| Cell Assay |
DDR1-expressing cancer cell lines are seeded in 96-well plates and treated with increasing concentrations of DDR1-IN-5 for 48-72 hours. Cell viability is measured by MTT assay. The inhibition of DDR1b Y513 autophosphorylation is confirmed by Western blot. The alkyne group allows for conjugation with fluorescent azides via click chemistry for cellular localization studies.
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| Animal Protocol |
For in vivo studies, DDR1-IN-5 would be administered to mice bearing DDR1-driven tumor xenografts or in fibrosis models. Dosing regimens are not specified. The click chemistry handle can be utilized to develop in vivo imaging probes to monitor target engagement and distribution. Detailed in vivo efficacy data are not available.
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| ADME/Pharmacokinetics |
DDR1-IN-5 has a molecular weight of 434.37 g/mol (C22H13F3N6O). For in vitro use, it is soluble in DMSO. For in vivo studies, it would typically be formulated in a mixture of DMSO, PEG300, Tween-80, and saline. Pharmacokinetic parameters (t1/2, Cmax, AUC) have not been characterized. Storage at -20degC, protected from light, is recommended.
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| Toxicity/Toxicokinetics |
No specific toxicity data are reported for DDR1-IN-5. As a selective DDR1 inhibitor, its safety profile is expected to be tolerable in research settings. The compound is for research use only and is not approved for human use. Its click chemistry handle can be used to synthesize probes for in vivo toxicity tracking.
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| References | |
| Additional Infomation |
Other information: DDR1-IN-5 (CAS 2416022-90-5) is a research compound. It is a potent and selective DDR1 inhibitor (IC50 = 4.1 nM for autophosphorylation) and contains an Alkyne group, making it suitable for click chemistry applications. It is a valuable chemical probe for studying DDR1 in cancer, fibrosis, and inflammation. For research use only.
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| Molecular Formula |
C22H13F3N6O
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|---|---|
| Molecular Weight |
434.37
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| Exact Mass |
434.11
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| CAS # |
2416022-90-5
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| PubChem CID |
146522931
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| Appearance |
Yellow to brown solid powder
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| LogP |
4.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
32
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| Complexity |
738
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC(F)(C1C=NC=C(NC2C3=C(C(C#CC4N5N=CC=CC5=NC=4)=C(C=C3)C)ON=2)C=1)F
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| InChi Key |
LGHRUPKASNQBFS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H13F3N6O/c1-13-4-6-18-20(17(13)7-5-16-12-27-19-3-2-8-28-31(16)19)32-30-21(18)29-15-9-14(10-26-11-15)22(23,24)25/h2-4,6,8-12H,1H3,(H,29,30)
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| Chemical Name |
7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-N-[5-(trifluoromethyl)pyridin-3-yl]-1,2-benzoxazol-3-amine
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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: 2.78 mg/mL (6.40 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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3022 mL | 11.5109 mL | 23.0218 mL | |
| 5 mM | 0.4604 mL | 2.3022 mL | 4.6044 mL | |
| 10 mM | 0.2302 mL | 1.1511 mL | 2.3022 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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