| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg |
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| 1g | |||
| Other Sizes |
| Targets |
ATX inhibitor 1 specifically targets Autotaxin (ATX/ENPP2). It demonstrates potent enzymatic inhibition with IC50 values of 1.23 nM (FS-3 substrate) and 2.18 nM (bis-pNPP substrate). The compound shows high selectivity for ATX over other related enzymes.
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|---|---|
| ln Vitro |
ATX inhibitor 1 exhibits potent in vitro activity against Autotaxin in biochemical assays using two orthogonal substrates: FS-3 and bis-pNPP. The low nanomolar IC50 values (1.23 nM and 2.18 nM, respectively) demonstrate its high potency. The compound effectively blocks the enzymatic production of LPA from its precursor LPC.
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| ln Vivo |
In vivo activity of ATX inhibitor 1 has been evaluated in preclinical models of inflammation and cancer. By reducing LPA production, the compound modulates downstream signaling pathways involved in cell migration, proliferation, and inflammatory responses. ATX inhibitors have shown efficacy in models of fibrosis, cancer metastasis, and inflammatory diseases.
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| Enzyme Assay |
The enzymatic activity of ATX inhibitor 1 is typically measured using fluorogenic substrates such as FS-3 or the chromogenic substrate bis-pNPP. Recombinant human ATX is incubated with the substrate and varying concentrations of the test compound. Fluorescence or absorbance is measured to determine the extent of substrate hydrolysis. IC50 values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for ATX inhibitor 1 typically involve measuring LPA production in ATX-expressing cell lines. Cells are treated with the compound, and extracellular LPA levels are quantified using LC-MS/MS or enzymatic assays. The compound's ability to inhibit ATX-mediated cell migration and invasion is assessed using Boyden chamber or wound-healing assays.
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| Animal Protocol |
In vivo studies of ATX inhibitor 1 are conducted in rodent models of cancer, fibrosis, or inflammation. The compound is administered via intraperitoneal (i.p.) or oral (p.o.) routes. Endpoints include tumor growth inhibition, tissue fibrosis reduction, or inflammatory marker levels. Plasma LPA levels are measured to confirm target engagement.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of ATX inhibitor 1 are typically evaluated in rodents following intravenous and oral administration. The compound (molecular weight 501.3) is formulated in suitable vehicles. Plasma concentrations are measured using LC-MS/MS. Key parameters including oral bioavailability, half-life, and clearance are determined to guide dosing regimens for efficacy studies.
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| Toxicity/Toxicokinetics |
ATX inhibitor 1 is intended for research use only and is not approved for human therapeutic use. Standard preclinical toxicology assessments would include acute and repeat-dose toxicity studies in rodents, as well as safety pharmacology evaluations. No specific toxicity data is available in the public domain.
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| References | |
| Additional Infomation |
ATX inhibitor 1 is a research tool for studying the biological functions of Autotaxin and the LPA signaling pathway. LPA is a bioactive lipid mediator involved in multiple physiological and pathological processes including cell migration, proliferation, inflammation, and cancer progression. ATX inhibitors are being investigated as potential therapeutic agents for fibrosis, cancer, and inflammatory diseases.
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| Molecular Formula |
C21H23CL2N2O6P
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|---|---|
| Molecular Weight |
501.296884775162
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| Exact Mass |
500.07
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| Elemental Analysis |
C, 50.32; H, 4.62; Cl, 14.14; N, 5.59; O, 19.15; P, 6.18
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| CAS # |
2225892-70-4
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| PubChem CID |
137628644
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| Appearance |
White to off-white solid powder
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| LogP |
2.2
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
32
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| Complexity |
682
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCC1C(=O)NC2=CC=C(C=C2)CP(=O)(O)O)C(=O)OCC3=CC(=CC(=C3)Cl)Cl
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| InChi Key |
CYOVYGWNDHLPBF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H23Cl2N2O6P/c22-17-9-15(10-18(23)11-17)12-31-21(27)25-7-5-16(6-8-25)20(26)24-19-3-1-14(2-4-19)13-32(28,29)30/h1-4,9-11,16H,5-8,12-13H2,(H,24,26)(H2,28,29,30)
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| Chemical Name |
[4-[[1-[(3,5-dichlorophenyl)methoxycarbonyl]piperidine-4-carbonyl]amino]phenyl]methylphosphonic acid
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| Synonyms |
ATX inhibitor 1; 2225892-70-4; CHEMBL4217352
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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 (~498.70 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.15 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 20.8 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: ≥ 2.08 mg/mL (4.15 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 20.8 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: ≥ 2.08 mg/mL (4.15 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 | 1.9948 mL | 9.9741 mL | 19.9481 mL | |
| 5 mM | 0.3990 mL | 1.9948 mL | 3.9896 mL | |
| 10 mM | 0.1995 mL | 0.9974 mL | 1.9948 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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