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ERα/ERβ antagonist-1

CAT: 0931-T203510-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T203510-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2482778-93-6
Target
Estrogen Receptor/ERR
Related Pathways
Endocrinology/Hormones
Bioactivity
ERα/ERβ antagonist-1 (Compound 10) functions as a partial antagonist of both ERα and ERβ. It reduces the activity of ERα and ERβ in HepG2 liver cells in a dose-dependent manner.
Smiles
O=C(OC1=CC=C(C=C1C=2C=CC(O)=C(C2)CC=C)CC=C)CCC
Molecular Formula
C22H24O3
Molecular Weight
336.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ER|A/ER|A antagonist-1
CAS Number2482778-93-6
PubChem CID172677398
IUPAC Name[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenyl] butanoate
Molecular FormulaC22H24O3
Molecular Weight336.4
XLogP5.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity445
SMILES
CCCC(=O)OC1=C(C=C(C=C1)CC=C)C2=CC(=C(C=C2)O)CC=C
InChI
InChI=1S/C22H24O3/c1-4-7-16-10-13-21(25-22(24)9-6-3)19(14-16)17-11-12-20(23)18(15-17)8-5-2/h4-5,10-15,23H,1-2,6-9H2,3H3
InChIKey
DFOBPOGBLRECAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ER|A/ER|A antagonist-1
CAS: 2482778-93-6
CID: 172677398
Formula: C22H24O3
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass336.17254462
Monoisotopic Mass336.17254462
Topological Polar Surface Area46.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T89608-01ER-851

Alternative Products

CatalogName
GTR19241133-01ERα/ERβ antagonist-1
GTR19184579-01ERα antagonist 1
HY-170382ER covalent antagonist-1
HY-179232ERα antagonist 2
SD0002-25mgFulvestrant (ER antagonist)
HY-168644Erα-IN-1
GTR19257747-01ERβ agonist-1
HY-146440LSD1/ER-IN-1
HY-142925ER degrader 1
sc-390243ERβ (B-1)

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