| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
ATX inhibitor 5 (compound 10g) exhibits action against hepatic stellate cells (HSC) and cardiac fibroblasts (CF) with IC50 values of 1.21 and 0.78 μM [1]. TGF-β-induced collagen content was effectively suppressed by ATX inhibitor 5 at 10 μM [1].
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|---|---|
| ln Vivo |
The CCl4-induced liver fibrosis levels are dramatically decreased by ATX inhibitor 5 (20–40 mg/kg; oral; once daily for two weeks) [1].
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| Cell Assay |
Cell Proliferation Assay[1]
Cell Types: CF and t-HSC/Cl-6 Cell Tested Concentrations: 0.0001, 0.01, 1, 100, 10000 µM Incubation Duration: 48 hrs (hours) Experimental Results: Shown for CF and t-HSC/Cl-6 The IC50 for viable cells was 1.21 and 0.78 µM, respectively. |
| Animal Protocol |
Animal/Disease Models: Male Konmin mice (8 weeks old, 22-25 grams) [1]
Doses: 20, 40 mg/kg Route of Administration: Oral; one time/day for two weeks Experimental Results: Dramatically diminished CCl4-induced liver damage Fibrosis level. |
| References |
| Molecular Formula |
C22H18CLF3N6O
|
|---|---|
| Molecular Weight |
474.8661
|
| Exact Mass |
474.118
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| CAS # |
2402772-45-4
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| PubChem CID |
146014477
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| Appearance |
White to off-white solid powder
|
| LogP |
4.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
33
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| Complexity |
688
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C([H])=C([H])C(=C([H])C=1[H])/C(/[H])=N/N([H])C(N1C([H])([H])C2C(=NC([H])=NC=2C([H])([H])C1([H])[H])N([H])C1=C([H])C([H])=C([H])C(C(F)(F)F)=C1[H])=O
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| InChi Key |
VHRNHTUEITYZIH-VPUKRXIYSA-N
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| InChi Code |
InChI=1S/C22H18ClF3N6O/c23-16-6-4-14(5-7-16)11-29-31-21(33)32-9-8-19-18(12-32)20(28-13-27-19)30-17-3-1-2-15(10-17)22(24,25)26/h1-7,10-11,13H,8-9,12H2,(H,31,33)(H,27,28,30)/b29-11+
|
| Chemical Name |
N-[(E)-(4-chlorophenyl)methylideneamino]-4-[3-(trifluoromethyl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
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| Synonyms |
ATX inhibitor 5; ATX inhibitor 5
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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 : ~250 mg/mL (~526.46 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.38 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 20.8 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 | 2.1058 mL | 10.5292 mL | 21.0584 mL | |
| 5 mM | 0.4212 mL | 2.1058 mL | 4.2117 mL | |
| 10 mM | 0.2106 mL | 1.0529 mL | 2.1058 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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