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XCT790

CAT: 1568-C07167-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C07167-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
725247-18-7
Synonyms
Compound 12
SKU
C07167-5mg
Target
Estrogen/progestogen Receptor
Applications
Endocrinology & Hormones
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
Molecular Formula
C23H13F9N4O3S
Additionnal Information
XCT-790 (Compound 12) is a potent and selective inverse agonist for estrogen-related receptor α (ERRα) with IC50 of 0.37 μM. XCT-790 (Compound 12) is inactive against ERRγ and the estrogen receptors ERα and ERβ. XCT-790 (Compound 12) significantly inhibits in vivo tumor growth and angiogenesis, and induces apoptosis.
Storage Conditions
3 years -20°C powder

Chemical Information

Xct790

XCT 790 is a member of cinnamamides.

CAS Number725247-18-7
PubChem CID6918788
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
Molecular FormulaC23H13F9N4O3S
Molecular Weight596.4
XLogP6.6
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity966
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
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
Chemical Structure
2D Structure
2D structure of Xct790
CAS: 725247-18-7
CID: 6918788
Formula: C23H13F9N4O3S
MW: 596.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.4
XLogP36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass596.05646492
Monoisotopic Mass596.05646492
Topological Polar Surface Area125 Ų
Heavy Atom Count40
Formal Charge0
Complexity966
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
468858-01XCT790

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