| Size | Price | Stock | Qty |
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| 5mg |
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| Targets |
Cudetaxestat targets autotaxin (ATX), a secreted enzyme that catalyzes the conversion of lysophosphatidylcholine (LPC) to lysophosphatidic acid (LPA). LPA is a bioactive lipid that activates G protein-coupled receptors to regulate various cellular processes including proliferation, migration, and survival. Cudetaxestat is a potent, noncompetitive inhibitor of ATX. By inhibiting ATX, the compound reduces LPA production and blocks ATX-LPA signal transduction. This mechanism makes Cudetaxestat a promising therapeutic candidate for diseases involving ATX-LPA signaling, including fibrosis, inflammation, and cancer.
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| ln Vitro |
Cudetaxestat demonstrates potent in vitro inhibition of autotaxin (ATX) enzymatic activity. The compound is a noncompetitive inhibitor of ATX. By inhibiting ATX, Cudetaxestat reduces the production of LPA. The compound's inhibition of ATX activity has been confirmed in biochemical assays. These in vitro findings support the compound's mechanism of action as an ATX inhibitor and its potential for treating diseases involving the ATX-LPA axis. Further details on its in vitro potency (IC50) are available in the literature.
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| ln Vivo |
Cudetaxestat is described as an orally active ATX inhibitor, indicating that it has sufficient oral bioavailability to exert effects in vivo. The compound reduces LPA production in vivo and blocks ATX-LPA signal transduction. Its potent and orally active profile supports its potential for therapeutic development in diseases involving ATX-LPA signaling, including fibrosis, inflammation, and cancer. Further in vivo studies are needed to fully characterize the compound's efficacy and safety in animal models.
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| Enzyme Assay |
The in vitro enzyme assay for Cudetaxestat involves measuring its inhibition of autotaxin (ATX) enzymatic activity. Recombinant human ATX is expressed and purified. Enzyme activity is assessed by measuring the conversion of a fluorescently labeled LPC substrate to LPA, which can be detected by fluorescence or mass spectrometry. Cudetaxestat is incubated with the enzyme and substrate at various concentrations. The IC50 value is determined by fitting the inhibition data to a dose-response curve. The assay buffer typically contains Tris-HCl and appropriate salts for enzyme activity.
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| Cell Assay |
In vitro cellular assays for Cudetaxestat typically use cell lines that produce LPA or respond to LPA signaling. Cells are treated with Cudetaxestat at various concentrations. LPA production in the medium is measured by mass spectrometry or ELISA. Downstream signaling markers such as ERK or Akt phosphorylation are assessed by Western blot. The compound's ability to inhibit LPA production and downstream signaling is quantified. These assays confirm the compound's cellular activity and support its use in ATX-LPA research.
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| Animal Protocol |
In vivo animal experiments for Cudetaxestat would typically use animal models of fibrosis, inflammation, or cancer, where the ATX-LPA axis is involved. As an orally active compound, Cudetaxestat would be administered via oral gavage. LPA levels in plasma and tissues would be measured. Disease severity, fibrosis markers, or tumor growth would be assessed. Pharmacodynamic studies could evaluate target engagement and pathway modulation. Further studies are needed to fully characterize the compound's in vivo efficacy.
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| ADME/Pharmacokinetics |
Cudetaxestat is described as an orally active ATX inhibitor, indicating that it has sufficient oral bioavailability to exert effects in vivo. The compound has a molecular weight of 482.34, which is within the range typical for orally available small molecules. Its chemical structure includes halogen substitutions, which may influence its absorption, distribution, metabolism, and excretion (ADME) properties. Further pharmacokinetic studies are needed to fully characterize its PK profile.
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| Toxicity/Toxicokinetics |
Toxicological data for Cudetaxestat are not extensively available in the public domain. As a research compound, Cudetaxestat has not undergone extensive toxicological evaluation. Standard cytotoxicity assays in cell lines may have been performed to assess safety margins. In animal studies, tolerability and potential adverse effects would be monitored. Further preclinical toxicology studies would be required to assess safety, determine no-observed-adverse-effect levels (NOAEL), and evaluate potential off-target effects before clinical development.
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| References | |
| Additional Infomation |
Cudetaxestat (BLD-0409, PAT-409) is a potent and orally active noncompetitive inhibitor of autotaxin (ATX). It reduces LPA production and blocks ATX-LPA signal transduction. The compound has a molecular weight of 482.34 and formula C21H15Cl2F2N3O2S. Cudetaxestat is used in research on fibrosis, inflammation, and cancer. No clinical trials or regulatory approvals have been reported. It is available as a research-grade compound.
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| Molecular Formula |
C21H15CL2F2N3O2S
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| Molecular Weight |
482.330508470535
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| Exact Mass |
481.023
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| CAS # |
1782070-21-6
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| PubChem CID |
91809202
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| Appearance |
White to off-white solid powder
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| LogP |
6.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
31
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| Complexity |
654
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=C(C2C=CC(=C(C=2N1C1C=NN(CCC)C=1)F)Cl)SC1C=CC=C(C(=O)O)C=1F
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| InChi Key |
NMDFAQXLJQRHMS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H15Cl2F2N3O2S/c1-2-8-27-10-11(9-26-27)28-18-13(6-7-14(22)17(18)25)19(20(28)23)31-15-5-3-4-12(16(15)24)21(29)30/h3-7,9-10H,2,8H2,1H3,(H,29,30)
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| Chemical Name |
3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorobenzoic acid
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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 (518.32 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.31 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.31 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 | 2.0733 mL | 10.3663 mL | 20.7327 mL | |
| 5 mM | 0.4147 mL | 2.0733 mL | 4.1465 mL | |
| 10 mM | 0.2073 mL | 1.0366 mL | 2.0733 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.
Link: https://clinicaltrials.gov/ct2/show/NCT05373914
Conditions:Idiopathic Pulmonary FibrosisLink: https://clinicaltrials.gov/ct2/show/NCT04814498
Conditions:Drug Drug InteractionLink: https://clinicaltrials.gov/ct2/show/NCT04939467
Conditions:Drug Drug Interaction
Title:Healthy Volunteer Study Comparing Tablet and Oral Solution Formulations
Status:Completed
updateDate:2021-11-10
Ctid:NCT04814472
Link: https://clinicaltrials.gov/ct2/show/NCT04814472
Conditions:Relative BioavailabilityLink: https://clinicaltrials.gov/ct2/show/NCT04146805
Conditions:Chronic Liver Disease|NASH - Nonalcoholic SteatohepatitisProducts are for research use only; We do not sell to patients
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