| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
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| Targets |
ERα (IC50 = 0.37 μM)
XCT790 targets the estrogen-related receptor alpha (ERRα), an orphan nuclear receptor that plays a key role in the regulation of energy metabolism, mitochondrial biogenesis, and cellular proliferation. As an inverse agonist, XCT790 binds to ERRα and stabilizes its inactive conformation, thereby inhibiting its transcriptional activity. This leads to a decrease in the expression of ERRα target genes involved in oxidative phosphorylation and fatty acid oxidation. |
|---|---|
| ln Vitro |
XCT-790 (0-40 μM; 48 hours and 72 hours) has a dose-dependent effect on MES-SA, MES-SA/DX5, and HepG2 cell viability[1].
XCT-790 (10 μM; 24 hours and 48 hours) reduces the the ERRα protein levels in HepG2 and R-HepG2 cell lines within 24 hours and keeps them there for 48 hours[1]. XCT-790 (10 μM; 48 hours) provokes apoptosis in both cell lines, HepG2 being more sensitive than R-HepG2[1]. XCT790 is a potent and selective inverse agonist of ERRα with an IC50 of approximately 0.2 µM. It shows minimal activity against ERRβ and ERRγ, indicating its selectivity for ERRα. The compound inhibits the growth of various cancer cell lines and modulates metabolic pathways. It has been shown to reduce the expression of ERRα target genes, such as PGC-1α and PDK4. |
| ln Vivo |
XCT-790 (XCT790; 4 mg/kg; intravenous injection; every three days; for 3 weeks; BALB/c mice) induces apoptosis in xenograft models without causing a decrease in body weight and significantly inhibits tumor growth and angiogenesis[3].
Specific in vivo activity data for XCT790 are not extensively reported in the available literature. As an ERRα inverse agonist, it is expected to exhibit efficacy in preclinical models of cancer and metabolic diseases. Further research is needed to characterize its pharmacokinetic and pharmacodynamic profiles in animal models. |
| Enzyme Assay |
The in vitro binding assay for XCT790 typically involves measuring its ability to displace a radiolabeled ligand from ERRα. The compound is incubated with the receptor and the radiolabeled ligand, and the amount of bound ligand is measured. The IC50 or Ki value is determined from the competition binding curves.
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| Cell Assay |
The in vitro cellular assay for XCT790 typically involves culturing cells that express ERRα and treating them with varying concentrations of the compound. The transcriptional activity of ERRα is measured using a reporter gene assay, and the expression of ERRα target genes is assessed by qPCR. The compound's effects on cell proliferation and mitochondrial function are also measured.
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| Animal Protocol |
Female BALB/c mice (4 weeks of age) with HEC-1A xenograft[3]
4 mg/kg Intravenous injection; every three days; for 3 weeks In vivo animal studies for XCT790 would typically involve the use of mouse xenograft models of cancer or models of metabolic disease. Tumor-bearing mice would be administered the compound via appropriate routes, and tumor growth inhibition would be monitored. Metabolic parameters such as glucose and lipid levels would also be assessed. |
| ADME/Pharmacokinetics |
XCT790 has a molecular weight of approximately 425.5 g/mol and a molecular formula of C22H16F3N3O3. It is soluble in DMSO and should be stored at -20°C. Further detailed physicochemical properties are available from the manufacturer's data sheets.
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| Toxicity/Toxicokinetics |
Specific toxicology data for XCT790 are not available in the public domain. The compound is intended for research use only and should be handled with appropriate laboratory safety precautions. Standard safety assessments would be required before any clinical application.
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| References |
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| Additional Infomation |
XCT 790 belongs to the cinnamamide class of compounds.
XCT790 is a potent and selective inverse agonist of the estrogen-related receptor alpha (ERRα). It has an IC50 of approximately 0.2 µM for ERRα and shows minimal activity against ERRβ and ERRγ. The compound is used in research to study the role of ERRα in energy metabolism, mitochondrial biogenesis, and cancer. It has not yet entered clinical trials and is strictly for preclinical research purposes. |
| Molecular Formula |
C23H13F9N4O3S
|
|---|---|
| Molecular Weight |
596.43
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| Exact Mass |
596.056
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| Elemental Analysis |
C, 46.32; H, 2.20; F, 28.67; N, 9.39; O, 8.05; S, 5.38
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| CAS # |
725247-18-7
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| Related CAS # |
725247-18-7
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| PubChem CID |
6918788
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.544g/cm3
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| Index of Refraction |
1.55
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| LogP |
6.8
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
16
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
40
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| Complexity |
966
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(NC1=NN=C(C(F)(F)F)S1)/C(C#N)=C/C2=CC=C(OCC3=C(C(F)(F)F)C=C(C(F)(F)F)C=C3)C(OC)=C2
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| InChi Key |
HQFNFOOGGLSBBT-AWNIVKPZSA-N
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| InChi Code |
InChI=1S/C23H13F9N4O3S/c1-38-17-7-11(6-13(9-33)18(37)34-20-36-35-19(40-20)23(30,31)32)2-5-16(17)39-10-12-3-4-14(21(24,25)26)8-15(12)22(27,28)29/h2-8H,10H2,1H3,(H,34,36,37)/b13-6+
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| Chemical Name |
(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
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| Synonyms |
XCT790; XCT-790; XCT 790
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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: 8~16.7 mg/mL (13.4~28 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 1.67 mg/mL (2.80 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 16.7 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6766 mL | 8.3832 mL | 16.7664 mL | |
| 5 mM | 0.3353 mL | 1.6766 mL | 3.3533 mL | |
| 10 mM | 0.1677 mL | 0.8383 mL | 1.6766 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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