| Size | Price | Stock | Qty |
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| Targets |
PX20606 trans-isomer specifically targets the farnesoid X receptor (FXR). It acts as a potent agonist of this nuclear receptor. The compound has been shown to have EC50 values of 32 nM in a FRET assay and 34 nM in a M1H assay for FXR. By activating FXR, it regulates the expression of genes involved in bile acid synthesis, lipid metabolism, and glucose homeostasis. Its high potency makes it a valuable tool for studying FXR biology.
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| ln Vitro |
In vitro, PX20606 trans-isomer demonstrates strong enzymatic inhibition and agonist activity at FXR. Its activity is quantified in cell-free assays with EC50 values of 32 nM (FRET assay) and 34 nM (M1H assay). The compound's ability to activate FXR leads to downstream effects, including the regulation of genes involved in lipid and glucose metabolism. Its high potency and selectivity make it a useful tool for studying FXR-mediated pathways in vitro.
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| ln Vivo |
In vivo, PX20606 trans-isomer has demonstrated significant efficacy in preclinical models. In cirrhotic rat models, therapeutic dosing of the compound resulted in a 43% reduction in Sirius Red area, indicating a strong anti-fibrotic effect. It has also been studied for its effects on portal hypertension and HDL subclass modulation. These findings highlight its potential for treating liver fibrosis and related metabolic diseases. The compound's favorable pharmacokinetic properties support its in vivo use.
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| Enzyme Assay |
Cell-free assays for PX20606 trans-isomer focus on measuring its agonistic activity at the FXR receptor. Two common methods are the FRET (Fluorescence Resonance Energy Transfer) assay and the M1H assay. In a FRET-based assay, the binding of the compound to FXR is measured by changes in fluorescence resonance energy transfer between a labeled FXR ligand and the receptor. In the M1H assay, a chimeric receptor system is used where the ligand-binding domain of FXR is fused to a heterologous DNA-binding domain. This system is used in a cell-based reporter assay to measure FXR activation. The EC50 values for PX20606 trans-isomer in these assays are 32 nM and 34 nM, respectively.
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| Cell Assay |
In vitro cell-based assays for PX20606 trans-isomer involve the use of cell lines that express FXR and a reporter gene. A common method is the luciferase reporter assay. In this assay, cells are co-transfected with a plasmid containing the FXR expression vector and a reporter plasmid where the luciferase gene is under the control of an FXR-responsive element. The cells are then treated with varying concentrations of PX20606 trans-isomer. After incubation, the cells are lysed, and the luciferase activity is measured. The EC50, the concentration that produces 50% of the maximal luciferase activity, is calculated.
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| Animal Protocol |
In vivo animal experiments for PX20606 trans-isomer are conducted in models of liver disease. In one study, the compound was evaluated in cirrhotic rat models. The compound was administered therapeutically, and its effect on liver fibrosis was assessed. The primary endpoint was the reduction in Sirius Red area, a measure of collagen deposition and fibrosis. A 43% reduction in Sirius Red area was observed, demonstrating significant anti-fibrotic activity. The compound has also been studied for its effects on portal hypertension and HDL subclass modulation.
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| ADME/Pharmacokinetics |
PX20606 trans-isomer has favorable pharmacokinetic properties, which are important for its in vivo efficacy. As an enantiomerically pure form, it ensures reproducible target engagement. However, detailed PK parameters such as bioavailability, half-life, and tissue distribution are not provided in the available summaries. Its solubility and stability are factors that would be characterized for its development. The compound is typically stored as a powder at -20°C.
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| Toxicity/Toxicokinetics |
Toxicological data for PX20606 trans-isomer is not detailed in the public literature. While it has shown in vivo efficacy in rat models, comprehensive toxicology studies (e.g., LD50, organ toxicity) have not been reported. As a potent FXR agonist, its toxicity profile would be an important consideration for its development as a therapeutic agent. Its use is restricted to laboratory research.
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| References | |
| Additional Infomation |
PX-102 is being studied in the clinical trial NCT01998672 (Px-102 Phase I study with multiple escalation oral doses).
PX20606 trans-isomer is a research-grade compound developed as a potent and selective FXR agonist. Its high potency and favorable pharmacokinetic properties make it a valuable tool for studying the role of FXR in various disease states, including liver fibrosis, portal hypertension, and metabolic disorders. Its ability to significantly reduce fibrosis in preclinical models has generated interest in its therapeutic potential. It has not been approved for clinical use. All information is for research reference and not for diagnostic or clinical use. |
| Molecular Formula |
C29H22CL3NO4
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|---|---|
| Molecular Weight |
554.848285198212
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| Exact Mass |
553.061
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| CAS # |
1268244-85-4
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| Related CAS # |
(-)-PX20606 trans isomer;1268244-88-7
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| PubChem CID |
118374999
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| Appearance |
White to off-white solid powder
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| LogP |
7.6
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
37
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| Complexity |
796
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C(O)(=O)C1=CC=C([C@@H]2C[C@H]2C2=CC=C(OCC3=C(C4CC4)ON=C3C3=C(Cl)C=CC=C3Cl)C=C2Cl)C=C1
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| InChi Key |
XBUXXJUEBFDQHD-NHCUHLMSSA-N
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| InChi Code |
InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)/t20-,21-/m1/s1
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| Chemical Name |
4-[(1S,2S)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid
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| Synonyms |
PX 20606; PX-20606; PX20606
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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 (~180.23 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8023 mL | 9.0114 mL | 18.0229 mL | |
| 5 mM | 0.3605 mL | 1.8023 mL | 3.6046 mL | |
| 10 mM | 0.1802 mL | 0.9011 mL | 1.8023 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/NCT01998659
Conditions:HealthyLink: https://clinicaltrials.gov/ct2/show/NCT01998672
Conditions:HealthyProducts are for research use only; We do not sell to patients
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