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CAT: 0013-GTR19224375-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224375-03Size:100 mg
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Description
GW5638 is a prodrug estrogen receptor ligand metabolized to its active form, GW7604. It acts as a unique antagonist and pseudo-SERD in vitro, representing a novel paradigm for breast cancer hormonal therapy research. Studies investigate its mechanisms and potential in both cellular and animal models of estrogen receptor-positive cancers.
CAS Number
155701-61-4
Field of Research
Metabolism Research
Smiles
CC\C (=C (/c1ccccc1) c1ccc (\C=C\C (O) =O) cc1) c1ccccc1
Molecular Formula
C25H22O2
Molecular Weight
354.449
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(4-(1,2-Diphenylbut-1-enyl)phenyl)acrylic acid

exhibits estrogen agonist activity in bone and estrogen antagonist activity in uterus; structure in first source

CAS Number155701-61-4
PubChem CID5288494
IUPAC Name(E)-3-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]prop-2-enoic acid
Molecular FormulaC25H22O2
Molecular Weight354.4
XLogP7.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity525
SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)/C=C/C(=O)O)/C3=CC=CC=C3
InChI
InChI=1S/C25H22O2/c1-2-23(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-16-13-19(14-17-22)15-18-24(26)27/h3-18H,2H2,1H3,(H,26,27)/b18-15+,25-23-
InChIKey
HJQQVNIORAQATK-DDJBQNAASA-N
Chemical Structure
2D Structure
2D structure of 3-(4-(1,2-Diphenylbut-1-enyl)phenyl)acrylic acid
CAS: 155701-61-4
CID: 5288494
Formula: C25H22O2
MW: 354.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP37.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass354.161979940
Monoisotopic Mass354.161979940
Topological Polar Surface Area37.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity525
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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