XCT790

For research use only. Not for therapeutic Use.

  • CAT Number: I004701
  • CAS Number: 725247-18-7
  • Molecular Formula: C23H13F9N4O3S
  • Molecular Weight: 596.4
  • Purity: ≥95%
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XCT-790 (Cat No.:I004701) is a potent and selective inverse agonist of estrogen-related receptor α (ERRα) with an IC50 of 0.37 μM. It does not exhibit activity against ERRγ, estrogen receptor α (ERα), or estrogen receptor β (ERβ). XCT-790 demonstrates significant efficacy in inhibiting tumor growth, suppressing angiogenesis, and inducing apoptosis in vivo. These findings suggest the potential of XCT-790 as a therapeutic agent for conditions involving ERRα dysregulation, such as certain types of cancer.


Catalog Number I004701
CAS Number 725247-18-7
Synonyms

(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

Molecular Formula C23H13F9N4O3S
Purity ≥95%
Target Estrogen Receptor/ERR; Autophagy
Solubility DMSO: ≥ 21 mg/mL
Storage 2-8°C
IUPAC 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
InChI 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+
InChIKey HQFNFOOGGLSBBT-AWNIVKPZSA-N
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
Reference

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<br>[1]. Wu F, et al. 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.
<br>[2]. Busch BB, et al. 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.
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