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Metahexestrol

CAT: 0013-GTR19258517-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258517-01Size:10 mg
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Description
Metahexestrol is an inhibitor of the estrogen receptor (E2R) with antitumor activity. It significantly inhibits the proliferation of estrogen receptor-positive MCF-7 human breast cancer cell line with an ED50 of 1.0 μM. Additionally, Metahexestrol shows inhibitory activity in estrogen receptor-negative MDA-MB-231 cell lines, and its antiproliferative effect is not reversed by estrogen, suggesting that its mechanism may be partially independent of the E2R pathway. Metahexestrol is applicable in research on estrogen-dependent breast cancer.
CAS Number
71953-72-5
Field of Research
Metabolism Research
Smiles
[C@H] ([C@H] (CC) C1=CC (O) =CC=C1) (CC) C2=CC (O) =CC=C2
Molecular Formula
C18H22O2
Molecular Weight
270.366
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Metahexestrol
CAS Number71953-72-5
PubChem CID6917687
IUPAC Name3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
Molecular FormulaC18H22O2
Molecular Weight270.4
XLogP5.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity251
SMILES
CC[C@H](C1=CC(=CC=C1)O)[C@@H](CC)C2=CC(=CC=C2)O
InChI
InChI=1S/C18H22O2/c1-3-17(13-7-5-9-15(19)11-13)18(4-2)14-8-6-10-16(20)12-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+
InChIKey
KUJAWCSIKNKXLL-HDICACEKSA-N
Chemical Structure
2D Structure
2D structure of Metahexestrol
CAS: 71953-72-5
CID: 6917687
Formula: C18H22O2
MW: 270.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.4
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass270.161979940
Monoisotopic Mass270.161979940
Topological Polar Surface Area40.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity251
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-171477Metahexestrol

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