Products for Research Use Only

GDC-0810

CAT: 1410-M11510-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M11510-02Size:5 mg
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Description
GDC-0810 (ARN-810, Brilanestrant) is a non-steroidal, orally bioavailable selective estrogen receptor degrader (SERD) with IC50 of 0.7 nM (ER-α degradation) .
CAS Number
1365888-06-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
446.9006
Molecular Formula
C26H20ClFN2O2
Notes
Research use only, not for human use.
Receptor
ERα

Chemical Information

Brilanestrant

ARN-810 has been used in trials studying the basic science and treatment of Breast Cancer.

CAS Number1365888-06-7
PubChem CID56941241
IUPAC Name(E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
Molecular FormulaC26H20ClFN2O2
Molecular Weight446.9
XLogP7.4
Topological Polar Surface Area66
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity719
SMILES
CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)Cl
InChI
InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
InChIKey
BURHGPHDEVGCEZ-KJGLQBJMSA-N
Chemical Structure
2D Structure
2D structure of Brilanestrant
CAS: 1365888-06-7
CID: 56941241
Formula: C26H20ClFN2O2
MW: 446.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight446.9
XLogP37.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass446.1197337
Monoisotopic Mass446.1197337
Topological Polar Surface Area66 Ų
Heavy Atom Count32
Formal Charge0
Complexity719
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes