XCT790

Alias: XCT790; XCT-790; XCT 790
Cat No.:V28256 Purity: ≥98%
XCT790 is a selective ERRα antagonist/inverse agonist (IC50 = ~400 nM).
XCT790 Chemical Structure CAS No.: 725247-18-7
Product category: ERR
This product is for research use only, not for human use. We do not sell to patients.
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Product Description

XCT790 is a selective ERRα antagonist/inverse agonist (IC50 = ~400 nM). At concentrations below 10 μM, XCT790 does not demonstrate any antagonist activity at ERRγ or ERα. It disrupts the signaling that is dependent on the PPARγ coactivator-1α (PGC-1α) and Errα.

Biological Activity I Assay Protocols (From Reference)
Targets
ERα (IC50 = 0.37 μM)
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].
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].
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
References

[1]. Estrogen-related receptor alpha (ERRalpha) inverse agonist XCT-790 induces cell death in chemotherapeutic resistant cancer cells. Chem Biol Interact. 2009 Oct 7;181(2):236-42.

[2]. Antitumor effect of XCT790, an ERRα inverse agonist, on ERα-negative endometrial cancer cells. Cell Oncol (Dordr). 2019 Apr;42(2):223-235.

[3]. Identification of a selective inverse agonist for the orphan nuclear receptor estrogen-related receptor alpha. J Med Chem. 2004 Nov 4;47(23):5593-6.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C23H13F9N4O3S
Molecular Weight
596.43
Exact Mass
596.0565
Elemental Analysis
C, 46.32; H, 2.20; F, 28.67; N, 9.39; O, 8.05; S, 5.38
CAS #
725247-18-7
Related CAS #
725247-18-7
Appearance
Solid powder
SMILES
COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=NN=C(S2)C(F)(F)F)OCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F
InChi Key
HQFNFOOGGLSBBT-AWNIVKPZSA-N
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+
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
Synonyms
XCT790; XCT-790; XCT 790
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
DMSO: 8~16.7 mg/mL (13.4~28 mM)
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.

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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