| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Targets |
ATX inhibitor 5 targets autotaxin (ATX), an enzyme that produces lysophosphatidic acid (LPA) from lysophosphatidylcholine. LPA is a bioactive lipid mediator involved in fibrosis, inflammation, and cancer. By inhibiting ATX with an IC50 of 15.3 nM, the compound reduces LPA production and disrupts profibrotic signaling pathways.
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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].
In vitro, ATX inhibitor 5 potently inhibits autotaxin with an IC50 of 15.3 nM. It shows anti-hepatofibrosis activity by reducing CCl4-induced hepatic fibrosis in cell-based models. Its potent ATX inhibition makes it a valuable tool for studying the role of LPA in fibrotic diseases. |
| 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].
In vivo, ATX inhibitor 5 is an orally active compound that reduces CCl4-induced hepatic fibrosis. As an orally bioavailable ATX inhibitor, it can be administered to animal models of liver fibrosis and other fibrotic diseases. Its ability to inhibit ATX and reduce LPA production translates to anti-fibrotic efficacy. Detailed in vivo pharmacokinetic and efficacy studies are available from the compound's characterization. |
| Enzyme Assay |
In vitro enzyme assays for ATX inhibitor 5 involve measuring its inhibition of autotaxin activity. Recombinant ATX is incubated with increasing concentrations of the compound and a fluorogenic substrate (e.g., bis-pNPP or FS-3) in assay buffer. The release of the fluorophore is measured fluorometrically. IC50 values are calculated from dose-response curves. Selectivity for ATX over other enzymes can be assessed using panels of related enzymes.
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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. For in vitro cell-based assays, hepatic stellate cells or other relevant cell lines are cultured and treated with ATX inhibitor 5 at various concentrations. ATX inhibition is confirmed by measuring LPA production in cell culture supernatants using LC-MS. Fibrotic markers such as collagen and α-SMA are measured by qRT-PCR or Western blot. Cell viability is assessed by MTT or standard assays. |
| 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. In vivo animal studies with ATX inhibitor 5 are conducted in models of liver fibrosis. CCl4 is administered to mice to induce hepatic fibrosis. The compound is administered orally at doses determined from pharmacokinetic studies. Liver fibrosis is assessed by histopathological analysis (e.g., Masson's trichrome staining) and by measuring fibrotic markers in liver tissues. The compound's anti-fibrotic efficacy has been demonstrated in these models. |
| ADME/Pharmacokinetics |
ATX inhibitor 5 (CAS: 2402772-45-4) has a molecular weight of 474.87 g/mol and a molecular formula of C22H18ClF3N6O. Solubility: DMSO >100 mg/mL. Appearance: solid powder. Storage: powder at -20°C. The compound is a potent and orally active autotaxin (ATX) inhibitor with an IC50 of 15.3 nM.
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| Toxicity/Toxicokinetics |
ATX inhibitor 5 is a research compound and is not approved for human therapeutic use. In preclinical studies, it has shown a manageable safety profile. As an ATX inhibitor, it may have effects on LPA-mediated signaling in various tissues. Standard laboratory safety precautions should be followed when handling the compound. Comprehensive toxicology studies would be required for therapeutic development.
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| References | |
| Additional Infomation |
ATX inhibitor 5 is a potent and orally active autotaxin (ATX) inhibitor with an IC50 of 15.3 nM. It shows anti-hepatofibrosis effects and reduces CCl4-induced hepatic fibrosis. By targeting ATX, it disrupts LPA-mediated profibrotic signaling. It has a molecular weight of 474.87 g/mol and a molecular formula of C22H18ClF3N6O. It is not FDA-approved and is intended for research use only.
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| Molecular Formula |
C22H18CLF3N6O
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|---|---|
| Molecular Weight |
474.8661
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| 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
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| 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+
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| 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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