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Pipendoxifene

CAT: 0013-GTR19209988-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209988-02Size:100 mg
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Description
Pipendoxifene (ERA-923) is a potent antiestrogen that inhibits ER-alpha and blocks estrogen-driven growth in breast cancer cells, including tamoxifen-resistant variants. It demonstrates improved preclinical efficacy and safety over tamoxifen and shows excellent anticancer activity in combination with temsirolimus in vivo.
CAS Number
198480-55-6
Field of Research
Metabolism Research
Smiles
C (N1C (=C (C) C=2C1=CC=C (O) C2) C3=CC=C (O) C=C3) C4=CC=C (OCCN5CCCCC5) C=C4
Molecular Formula
C29H32N2O3
Molecular Weight
456.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pipendoxifene

ER modulator, ERA-923(Pipendoxifene) is a estrogen receptor modulator being evaluated for the treatment of breast cancer. Pipendoxifene is a new 2-phenyl indole selective estrogen receptor modulators (SERM )that exhibits an excellent preclinical pharmacological profile and was selected for further development as a treatment for metastatic breast cancer.

CAS Number198480-55-6
PubChem CID6433099
IUPAC Name2-(4-hydroxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
Molecular FormulaC29H32N2O3
Molecular Weight456.6
XLogP5.8
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity610
SMILES
CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O
InChI
InChI=1S/C29H32N2O3/c1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30/h5-14,19,32-33H,2-4,15-18,20H2,1H3
InChIKey
JICOGKJOQXTAIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pipendoxifene
CAS: 198480-55-6
CID: 6433099
Formula: C29H32N2O3
MW: 456.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.6
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass456.24129289
Monoisotopic Mass456.24129289
Topological Polar Surface Area57.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity610
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
BA9235-5Pipendoxifene
HY-13724B-01Pipendoxifene hydrochloride
HY-W727814Pipendoxifene-d10
CS-T-103090Pipendoxifene (Piperidine-D10)
TRC-D289628-750MGDesdihydroxy Bisbenzyl Pipendoxifene
A21623-25Pipendoxifene hydrochloride 25mg
A21623-5Pipendoxifene hydrochloride 5mg
A21623-1Pipendoxifene hydrochloride 1mg
A21623-100Pipendoxifene hydrochloride 100mg

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