| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg | |||
| Other Sizes |
| Targets |
Autotaxin-IN-3 primarily targets autotaxin (ATX), also known as ectonucleotide pyrophosphatase/phosphodiesterase 2 (ENPP2). ATX is a secreted enzyme that catalyzes the conversion of lysophosphatidylcholine (LPC) to lysophosphatidic acid (LPA), a bioactive lipid that activates multiple G protein-coupled receptors. By inhibiting ATX with an IC50 of 2.4 nM, Autotaxin-IN-3 reduces LPA production and downstream signaling. This makes it a valuable tool for studying the ATX-LPA axis in various pathological conditions.
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| ln Vitro |
An enzyme called autocrine motility factor raises the level of lysophosphatidic acid in plasma and ascites. As a physiologically active signaling molecule, it is a significant secreted enzyme that changes lysophosphatidylcholine (LPC) into lysophosphatidic acid (LPA) [1].
In vitro, Autotaxin-IN-3 is a potent inhibitor of autotaxin with an IC50 of 2.4 nM. The compound is developed from compound 33 in patent WO2018212534A1. It effectively inhibits ATX enzymatic activity in biochemical assays. By blocking ATX, Autotaxin-IN-3 reduces LPA production and downstream signaling events. Its high potency makes it suitable for studying the role of the ATX-LPA axis in various cell types. The compound demonstrates good solubility and stability in DMSO (225 mg/mL, 507.37 mM). |
| ln Vivo |
In vivo, Autotaxin-IN-3 has been investigated for its effects on the ATX-LPA signaling axis. By inhibiting ATX, the compound reduces LPA levels in plasma and tissues. This has potential therapeutic implications for cancer, fibrosis, inflammation, and metabolic disorders. The compound is typically formulated for in vivo administration using vehicles such as 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline (5 mg/mL, 11.27 mM). Specific in vivo efficacy data is available from studies exploring the ATX-LPA axis.
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| Enzyme Assay |
The cell-free enzyme assay for Autotaxin-IN-3 involves measuring its inhibitory activity against purified autotaxin (ATX). The assay typically uses a fluorogenic substrate that is cleaved by ATX to produce a fluorescent signal. Inhibition is assessed by incubating the enzyme with varying concentrations of Autotaxin-IN-3 (ranging from pM to μM) and measuring residual enzymatic activity. The IC50 value of 2.4 nM is determined from dose-response curves. Kinetic studies can be performed to determine the mechanism of inhibition (competitive, non-competitive, etc.).
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| Cell Assay |
For in vitro cellular assays, Autotaxin-IN-3 is typically dissolved in DMSO and diluted in cell culture medium to desired concentrations. Cells that express ATX or respond to LPA are treated with various concentrations of the compound. LPA production in the culture medium is measured using mass spectrometry or ELISA. Downstream signaling pathways (e.g., MAPK, PI3K/AKT) are assessed by western blotting using phospho-specific antibodies. Cell proliferation, migration, and invasion assays are used to evaluate functional effects of ATX inhibition.
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| Animal Protocol |
In vivo animal studies for Autotaxin-IN-3 are conducted in mouse models of cancer, fibrosis, or inflammation. The compound is administered via various routes including oral gavage, intraperitoneal injection, or intravenous injection. Plasma and tissue LPA levels are measured using mass spectrometry to confirm target engagement. Disease progression (tumor growth, fibrosis score, inflammation markers) is monitored. Pharmacodynamic endpoints include assessment of ATX inhibition, LPA reduction, and downstream signaling changes in target tissues.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Autotaxin-IN-3 include a molecular weight of 443.46 g/mol and molecular formula C22H21N9O2. The compound has a predicted density of 1.482 g/cm3. It is soluble in DMSO (225 mg/mL, 507.37 mM). For in vivo use, the compound can be formulated in 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline at 5 mg/mL (11.27 mM). Storage recommendations include powder at -20°C for up to 3 years and in solvent at -80°C for 1 year.
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| Toxicity/Toxicokinetics |
The toxicity profile of Autotaxin-IN-3 has not been extensively characterized in published literature. As an ATX inhibitor that reduces LPA production, the compound is expected to have a manageable safety profile. Standard preclinical safety studies would include acute and sub-chronic toxicity assessments in rodent models. Potential toxicities related to LPA signaling disruption should be monitored. The compound is intended for research use only and not for therapeutic applications in humans.
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| References | |
| Additional Infomation |
Autotaxin-IN-3 is a potent autotaxin (ATX) inhibitor with an IC50 of 2.4 nM (compound 33 from patent WO2018212534A1). It targets the ATX-LPA signaling axis, reducing LPA levels and downstream signaling. This compound is a valuable research tool for exploring cancer, fibrosis, inflammation, and metabolic disorders. Autotaxin-IN-3 has not entered clinical trials and is strictly for research purposes. It is available as a research-grade compound with purity of 99.79%.
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| Molecular Formula |
C22H21N9O2
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|---|---|
| Molecular Weight |
443.461242437363
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| Exact Mass |
443.181
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| CAS # |
2156655-68-2
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| PubChem CID |
141724181
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.482±0.06 g/cm3(Predicted)
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| Boiling Point |
807.6±75.0 °C(Predicted)
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| LogP |
0.8
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
33
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| Complexity |
677
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CC2=NNN=C21)C(=O)CC3=NN=C(O3)C4=CN=C(N=C4)NC5CC6=CC=CC=C6C5
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| InChi Key |
YJLUBHOZZTYQIP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H21N9O2/c32-20(31-6-5-17-18(12-31)27-30-26-17)9-19-28-29-21(33-19)15-10-23-22(24-11-15)25-16-7-13-3-1-2-4-14(13)8-16/h1-4,10-11,16H,5-9,12H2,(H,23,24,25)(H,26,27,30)
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| Chemical Name |
2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
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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 (~563.75 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.69 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 (4.69 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 (4.69 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 | 2.2550 mL | 11.2750 mL | 22.5499 mL | |
| 5 mM | 0.4510 mL | 2.2550 mL | 4.5100 mL | |
| 10 mM | 0.2255 mL | 1.1275 mL | 2.2550 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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