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LY88074

CAT: 0013-GTR19205485-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205485-02Size:5 mg
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Description
LY88074 is a raloxifene derivative lacking the basic side chain, which acts as an ERβ agonist with an EC50 of 232 nM. This compound has been shown to promote uterine cell proliferation in research models, making it a useful tool for studying estrogen receptor subtype-specific functions in vitro and in vivo.
CAS Number
177744-96-6
Product Name Alternative
LY88074, LY-88074, LY 88074, ERβ, Estrogen Receptor, EstrogenReceptor, progestogen Receptor, progestogenReceptor
Field of Research
Metabolism Research
Purity
97.03% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.76 mM) ; DMSO:3.63 mg/mL (10.02 mM)
Smiles
C (=O) (C1=C (SC=2C1=CC=C (O) C2) C3=CC=C (O) C=C3) C4=CC=C (O) C=C4
Molecular Formula
C21H14O4S
Molecular Weight
362.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(4-Hydroxyphenyl)-3-(4-Hydroxybenzoyl)-6-Hydroxybenzo[b]thiophene
CAS Number177744-96-6
PubChem CID9863785
IUPAC Name[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-hydroxyphenyl)methanone
Molecular FormulaC21H14O4S
Molecular Weight362.4
XLogP4.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity496
SMILES
C1=CC(=CC=C1C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C21H14O4S/c22-14-5-1-12(2-6-14)20(25)19-17-10-9-16(24)11-18(17)26-21(19)13-3-7-15(23)8-4-13/h1-11,22-24H
InChIKey
CTMKIRXPVZYQJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Hydroxyphenyl)-3-(4-Hydroxybenzoyl)-6-Hydroxybenzo[b]thiophene
CAS: 177744-96-6
CID: 9863785
Formula: C21H14O4S
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass362.06128010
Monoisotopic Mass362.06128010
Topological Polar Surface Area106 Ų
Heavy Atom Count26
Formal Charge0
Complexity496
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

Alternative Products

CatalogName
BUP12846-01LY88074
MBS5767022LY88074 Trimethyl ether
HY-135592-01LY88074 Methyl ether
HY-135593LY88074 analog 1

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