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Acolbifene

CAT: 1410-M26045-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M26045-02Size:1 mL x 10 mM in DMSO
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Description
Acolbifene is a selective antagonist of estrogen receptors with IC50s of 2 nM and 0.4 nM for estradiol-induced transcriptional activity of ERα and ERβ. Acolbifene shows an anticarcinogenic property.
CAS Number
182167-02-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
457.56
Molecular Formula
C29H31NO4
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Acolbifene

Acolbifene is under investigation in clinical trial NCT01452373 (Dehydroepiandrosterone (DHEA) + Acolbifene Against Vasomotor Symptoms (Hot Flushes) in Postmenopausal Women).

CAS Number182167-02-8
PubChem CID155435
IUPAC Name(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol
Molecular FormulaC29H31NO4
Molecular Weight457.6
XLogP5.2
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity674
SMILES
CC1=C([C@@H](OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O
InChI
InChI=1S/C29H31NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19,29,31-32H,2-4,15-18H2,1H3/t29-/m0/s1
InChIKey
DUYNJNWVGIWJRI-LJAQVGFWSA-N
Chemical Structure
2D Structure
2D structure of Acolbifene
CAS: 182167-02-8
CID: 155435
Formula: C29H31NO4
MW: 457.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.6
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass457.22530847
Monoisotopic Mass457.22530847
Topological Polar Surface Area62.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity674
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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