Xct790

Base Information

• Chemical Name: Xct790
• CAS No.: 725247-18-7
• Molecular Formula: C23H13F9N4O3S
• Molecular Weight: 596.4249
• European Community (EC) Number: 635-221-7
• UNII: A4CE428LGJ
• Nikkaji Number: J2.069.499H
• Wikipedia: XCT-790
• Wikidata: Q8041720
• Pharos Ligand ID: ZUB59136QR7U
• ChEMBL ID: CHEMBL189753
• Mol file: 725247-18-7.mol

Synonyms:XCT 790;XCT-790;XCT790

Chemical Property of Xct790

Chemical Property:

• Refractive Index: 1.55
• PSA: 125.37000
• Density: 1.544 g/cm³
• LogP: 6.80078
• Storage Temp.: Store at +4°C
• Solubility.: DMSO: ≥10mg/mL
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 596.05646492
• Heavy Atom Count: 40
• Complexity: 966

Purity/Quality:

98%,99%, ^*data from raw suppliers

XCT790 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical 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
• Isomeric 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
• Description: XCT790 is an inverse agonist of estrogen-related receptor α (ERRα; IC50 = ~300-500 nM). It demonstrates 90-100% inhibition of ERRα constitutive activity and has no significant activity at related nuclear receptors at 10 μM. XCT790 associates with the ligand-binding domain of ERRα and blocks ERRα/PGC-1α-dependent signaling, suppressing the expression of monoamine oxidases A and B. XCT790 induces proteasomal degradation of ERRα and potentiates the degradation of the estrogen receptor ERα by fulvestrant .
• Uses: XCT790 is a potent inverse agonist of ERRα.