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Brilanestrant

CAT: 0804-HY-12864-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-12864-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Brilanestrant (ARN-810; GDC-0810) is an orally bioavailable selective estrogen receptor degrader (SERD) with IC50 of 0.7 nM.
CAS Number
1365888-06-7
Product Name Alternative
ARN-810; GDC-0810
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Estrogen Receptor/ERR
Type
Reference compound
Related Pathways
Vitamin D Related/Nuclear Receptor
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/GDC-0810.html
Purity
99.85
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)/C=C/C1=CC=C(/C(C2=CC3=C(NN=C3)C=C2)=C(C4=CC=C(F)C=C4Cl)/CC)C=C1
Molecular Formula
C26H20ClFN2O2
Molecular Weight
446.90
Precautions
H302, H315, H319, H335
References & Citations
[1]By Lai, et al. Identification of GDC-0810 (ARN-810), an Orally Bioavailable Selective Estrogen Receptor Degrader (SERD) that Demonstrates Robust Activity in Tamoxifen-Resistant Breast Cancer Xenografts. J Med Chem. 2015 Jun 25;58 (12) :4888-904.|[2]Joseph JD, et al. The selective estrogen receptor downregulator GDC-0810 is efficacious in diverse models of ER+ breast cancer. Elife. 2016 Jul 13;5. pii: e15828. doi: 10.7554/eLife.15828
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

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...
View on PubChemRaw 3D data
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

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CatalogName
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A15958-100GDC-0810 (Brilanestrant) 100mg
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A15958-1GDC-0810 (Brilanestrant) 1mg
A15958-10mM-DGDC-0810 (Brilanestrant) 10mM * 1mL in DMSO

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