| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
DDR1 (discoidin domain receptor 1).
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|---|---|
| ln Vitro |
In U2OS cells, DDR1-IN-1 efficiently inhibits collagen-induced DDR1 pY513 autophosphorylation (EC50 = 86.76 nM) with good selectivity for more than 380 kinases. After collagen stimulation (IC50 < 2.5 μM), DDR1-IN-1 inhibits DDR2-mediated MT1-MMP activation in human rheumatoid synovial fibroblasts (RASF) and increases the efficacy of PI3K/mTOR inhibitor GSK2126458 in SNU-1040 colorectal antiproliferative in cancer cultures [1].
DDR1-IN-1 dihydrochloride is a potent and selective DDR1 inhibitor. It blocks DDR1-mediated signaling pathways involved in cell adhesion and migration. The compound demonstrates inhibitory activity against DDR1 with high selectivity over other kinases, making it a valuable tool for studying DDR1 function in cancer and fibrosis. |
| ln Vivo |
No specific in vivo efficacy data are available for DDR1-IN-1 dihydrochloride. As a DDR1 inhibitor, it would be expected to inhibit fibrosis and tumor progression in animal models, but no published animal study results are currently documented for this salt form.
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| Enzyme Assay |
The DDR1 kinase assay uses recombinant DDR1 kinase domain and a synthetic peptide substrate. ATP and the substrate are incubated with the enzyme in the presence of varying concentrations of DDR1-IN-1. Phosphorylation is measured by fluorescence polarization or mass spectrometry, and IC50 values are determined.
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| Cell Assay |
In cellular assays, DDR1-expressing cancer cells are treated with DDR1-IN-1 dihydrochloride. Cell adhesion and migration are assessed using transwell or wound healing assays. Phosphorylation of DDR1 and downstream signaling proteins is assessed by Western blot to confirm target inhibition.
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| Animal Protocol |
No specific in vivo animal study protocols are documented for DDR1-IN-1 dihydrochloride. General models of fibrosis or cancer in mice could be used, with the compound administered orally or intraperitoneally, and fibrosis markers or tumor growth inhibition assessed.
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| References |
| Molecular Formula |
C30H33CL2F3N4O3
|
|---|---|
| Molecular Weight |
625.5092
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| Exact Mass |
624.188
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| CAS # |
1780303-76-5
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| Related CAS # |
DDR1-IN-1;1449685-96-4
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| PubChem CID |
90489006
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| Appearance |
Light yellow to yellow solid
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
42
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| Complexity |
881
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)OC4=CC5=C(C=C4)NC(=O)C5)C(F)(F)F.Cl.Cl
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| InChi Key |
PBUOJKYQZINPKD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C30H31F3N4O3.2ClH/c1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26;;/h4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38);2*1H
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| Chemical Name |
4-[(4-ethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(2-oxo-1,3-dihydroindol-5-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide;dihydrochloride
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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, avoid exposure to moisture. |
| 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) |
H2O: ~100 mg/mL (~159.9 mM; with ultrasonication and warming by heating to 60°C)
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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 | 1.5987 mL | 7.9935 mL | 15.9870 mL | |
| 5 mM | 0.3197 mL | 1.5987 mL | 3.1974 mL | |
| 10 mM | 0.1599 mL | 0.7993 mL | 1.5987 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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