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4-Hydroxytamoxifen (Afimoxifene)

CAT: 0957-S7827-01Size: 10 mgDry Ice: YesHazardous: No
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CAT#:0957-S7827-01Size:10 mg
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Description
4-Hydroxytamoxifen (Afimoxifene) is the active metabolite of tamoxifen and a selective estrogen receptor (ER) modulator that is widely used in the therapeutic and chemopreventive treatment of breast cancer. It activates on-target modification frequency for intein-Cas9 variants.
CAS Number
68392-35-8
Synonyms
Afimoxifene
Target
Estrogen/progestogen Receptor
Activity
Endocrinology & Hormones
Molecular Formula
C26H29NO2
Storage Conditions
2 years -80 in solvent

Chemical Information

4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenyl-1-buten-1-yl)phenol

Afimoxifene (4-Hydroxytamoxifen, trade name TamoGel) is a new estrogen inhibitor under investigation for a variety of estrogen-dependent conditions, including cyclic breast pain and gynecomastia. TamoGel is formulated using Enhanced Hydroalcoholic Gel (EHG) Technology. This technology enables percutaneous delivery of drugs that cannot be delivered orally. It is being developed by Ascent Therapeutics.

CAS Number68392-35-8
PubChem CID63062
IUPAC Name4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
Molecular FormulaC26H29NO2
Molecular Weight387.5
XLogP6.8
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity493
SMILES
CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3
InChIKey
TXUZVZSFRXZGTL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenyl-1-buten-1-yl)phenol
CAS: 68392-35-8
CID: 63062
Formula: C26H29NO2
MW: 387.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass387.219829168
Monoisotopic Mass387.219829168
Topological Polar Surface Area32.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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