| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg | |||
| Other Sizes |
| Targets |
Autotaxin (ATX). BIO-32546 selectively inhibits ATX, an enzyme that produces lysophosphatidic acid (LPA), a bioactive lipid involved in cancer, fibrosis, and inflammatory diseases. By inhibiting ATX, the compound reduces LPA production.
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|---|---|
| ln Vitro |
BIO-32546 inhibits autotaxin (ATX) with an IC50 of approximately 1 nM. This potent inhibition makes it a valuable tool for probing LPA signaling pathways. The compound is selective for ATX and does not rely on zinc binding for its activity.
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| ln Vivo |
In vivo efficacy of BIO-32546 has been evaluated in preclinical models of cancer, fibrosis, and inflammatory diseases. As an orally administered compound, it demonstrates potential for therapeutic use. However, specific in vivo data are not detailed in the available literature.
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| Enzyme Assay |
Enzyme inhibition assays are performed using recombinant autotaxin (ATX) enzyme. BIO-32546 is incubated with the enzyme and substrate, and the inhibition of ATX activity is measured. The IC50 of approximately 1 nM is determined from dose-response curves.
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| Cell Assay |
Cell-based assays for BIO-32546 would involve the evaluation of ATX inhibition in various cell types. The compound's ability to reduce LPA production and downstream signaling would be assessed. However, specific cell-based assay details are not extensively reported.
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| Animal Protocol |
In vivo studies for BIO-32546 would involve the administration of the compound to animal models of cancer, fibrosis, or inflammation. The compound's effects on disease progression and LPA signaling would be assessed. The compound is orally administered.
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| ADME/Pharmacokinetics |
BIO-32546 is orally administered, supporting its potential for therapeutic use. The compound's favorable PK properties make it suitable for in vivo studies. Detailed PK parameters would require further investigation from primary literature.
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| Toxicity/Toxicokinetics |
Toxicity data for BIO-32546 are not extensively reported in the available literature. The compound is intended for research use only. Its investigation for therapeutic applications suggests it has been evaluated in preclinical toxicology studies.
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| References | |
| Additional Infomation |
BIO-32546 is a research compound used to study ATX biology and evaluate the therapeutic potential of ATX inhibition in cancer, fibrosis, and inflammatory diseases. It is a potent, selective, and orally available ATX inhibitor. The compound is not approved for clinical use.
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| Molecular Formula |
C28H31F6NO3
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|---|---|
| Molecular Weight |
543.54106926918
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| Exact Mass |
543.221
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| CAS # |
1548743-66-3
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| PubChem CID |
90027494
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.328±0.06 g/cm3(Predicted)
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| Boiling Point |
586.9±50.0 °C(Predicted)
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| LogP |
7.685
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
38
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| Complexity |
827
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| Defined Atom Stereocenter Count |
1
|
| SMILES |
C[C@@H](C1=CC2=C(C=C1)C=CC(=C2C(F)(F)F)OC3CCC(CC3)C(F)(F)F)N4C5CCC4CC(C5)C(=O)O
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| InChi Key |
PZASAAIJIFDWSB-CKPDSHCKSA-N
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| InChi Code |
InChI=1S/C28H31F6NO3/c1-15(35-20-7-8-21(35)13-18(12-20)26(36)37)17-3-2-16-4-11-24(25(23(16)14-17)28(32,33)34)38-22-9-5-19(6-10-22)27(29,30)31/h2-4,11,14-15,18-22H,5-10,12-13H2,1H3,(H,36,37)/t15-,18?,19?,20?,21?,22?/m0/s1
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| Chemical Name |
8-[(1S)-1-[8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethyl]-8-azabicyclo[3.2.1]octane-3-carboxylic 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 : ~100 mg/mL (~183.98 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.60 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 25.0 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: ≥ 2.5 mg/mL (4.60 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 25.0 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: ≥ 2.5 mg/mL (4.60 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 | 1.8398 mL | 9.1990 mL | 18.3979 mL | |
| 5 mM | 0.3680 mL | 1.8398 mL | 3.6796 mL | |
| 10 mM | 0.1840 mL | 0.9199 mL | 1.8398 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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