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CAT: 0931-T27289-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27289-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
155701-61-4
Target
Estrogen Receptor/ERR, Others
Related Pathways
Others, Endocrinology/Hormones
Bioactivity
GW5638 is a estrogen receptor ligand. GW5638 is a prodrug of its active metabolite GW7604. GW5638 appears to act as an antagonist in these in vitro systems, although in a manner distinct from other known ER modulators. GW5638 is also classified as a pseudo-SERD, which could form the basis of a new paradigm of breast cancer hormonal therapy in its own right.
Smiles
CC\C(=C(/c1ccccc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
Molecular Formula
C25H22O2
Molecular Weight
354.449
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
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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CatalogName
GTR19224375-01Etacstil

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