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TTC-352

CAT: 0926-HPC81968-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-HPC81968-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1607819-68-0
Synonyms
3- (4-Fluorophenyl) -2- (4-hydroxyphenoxy) benzo[b]thiophene-6-ol
Smiles
C1CN (CC1N) CC2=CN3C=C (C=CC3=N2) Cl
Molecular Formula
C20H13FO3S
Molecular Weight
352.40 g/mol
Controlled
No

Chemical Information

Ttc-352

Selective Human Estrogen-receptor Alpha Partial Agonist TTC-352 is a benzothiophene and orally bioavailable selective human estrogen receptor alpha (ERalpha; ESR1; ERa) partial agonist (ShERPA), with potential antineoplastic activity. Upon administration, TTC-352 mimics the naturally-occurring 17beta-estradiol (E2) and targets and binds to ERa located in the nucleus. This causes translocation of ERa to extranuclear sites. Nuclear export of ERa prevents normal ER-mediated signaling and inhibits proliferation of ER-positive tumor cells. TTC-352 causes tumor regression of tamoxifen (TAM)-resistant (TR) tumor cells which often overexpress protein kinase C alpha (PKCalpha; PKCa). PKCa expression is associated with poor patient survival and breast cancer aggressiveness and may predict tumor responses to E2, E2-like compounds and ShERPAs. Unlike E2 and E2-like compounds, TTC-352 does not cause endometrial proliferation.

CAS Number1607819-68-0
PubChem CID74222430
IUPAC Name3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol
Molecular FormulaC20H13FO3S
Molecular Weight352.4
XLogP5.8
Topological Polar Surface Area77.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity435
SMILES
C1=CC(=CC=C1C2=C(SC3=C2C=CC(=C3)O)OC4=CC=C(C=C4)O)F
InChI
InChI=1S/C20H13FO3S/c21-13-3-1-12(2-4-13)19-17-10-7-15(23)11-18(17)25-20(19)24-16-8-5-14(22)6-9-16/h1-11,22-23H
InChIKey
UDBMVVLTKJMPCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ttc-352
CAS: 1607819-68-0
CID: 74222430
Formula: C20H13FO3S
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass352.05694361
Monoisotopic Mass352.05694361
Topological Polar Surface Area77.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity435
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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