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N-Desmethyltamoxifen

CAT: 0804-HY-129099Size: 1 EachDry Ice: NoHazardous: No
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Description
N-Desmethyltamoxifen is the major metabolite of tamoxifen in humans. N-Desmethyltamoxifen, a poor antiestrogen, is a ten-fold more potent protein kinase C (PKC) inhibitor than Tamoxifen. N-Desmethyltamoxifen is also a potent regulator of ceramide metabolism in human AML cells, limiting ceramide glycosylation, hydrolysis, and sphingosine phosphorylation[1][2][3].
CAS Number
31750-48-8
UNSPSC
12352005
Hazard Statement
H302-H350-H360-H372
Target
Drug Metabolite; Endogenous Metabolite; Estrogen Receptor/ERR; PKC
Type
Reference compound
Related Pathways
Epigenetics; Metabolic Enzyme/Protease; TGF-beta/Smad; Vitamin D Related/Nuclear Receptor
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/n-desmethyltamoxifen.html
Solubility
10 mM in DMSO
Smiles
CC/C(C1=CC=CC=C1)=C(C2=CC=C(OCCNC)C=C2)\C3=CC=CC=C3
Molecular Formula
C25H27NO
Molecular Weight
357.50
Precautions
P260-P264-P270-P280-P330-P405-P501
References & Citations
[1]Vertosick FT Jr, et al. A comparison of the relative chemosensitivity of human gliomas to tamoxifen and n-desmethyltamoxifen in vitro. J Neurooncol. 1994;19 (2) :97-103.|[2]Morad SA, et al. Modification of sphingolipid metabolism by tamoxifen and N-desmethyltamoxifen in acute myelogenous leukemia--Impact on enzyme activity and response to cytotoxics. Biochim Biophys Acta. 2015 Jul;1851 (7) :919-28.|[3]Reddel RR, et al. N-desmethyltamoxifen inhibits growth of MCF 7 human mammary carcinoma cells in vitro. Eur J Cancer Clin Oncol. 1983 Aug;19 (8) :1179-81.|[4]Seong Hwan Kim, et al. Use of Antidepressants in Patients with Breast Cancer Taking Tamoxifen. J Breast Cancer. 2010 Dec;13 (4) :325-336.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PKC

Chemical Information

Desmethyltamoxifen

N-Desmethyltamoxifen is a stilbenoid.

CAS Number31750-48-8
PubChem CID6378383
IUPAC Name2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine
Molecular FormulaC25H27NO
Molecular Weight357.5
XLogP6.7
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity437
SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3
InChI
InChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24-
InChIKey
NYDCDZSEEAUOHN-IZHYLOQSSA-N
Chemical Structure
2D Structure
2D structure of Desmethyltamoxifen
CAS: 31750-48-8
CID: 6378383
Formula: C25H27NO
MW: 357.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.5
XLogP36.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass357.209264485
Monoisotopic Mass357.209264485
Topological Polar Surface Area21.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19229699-01N-Desmethyltamoxifen
T12148-01N-Desmethyltamoxifen hydrochloride
D3220-90NN-Desmethyltamoxifen Methanethiosulfonate Hydrobromide
CS-P-09209N-DesmethylTamoxifen (E/Z mixture)
CS-O-55644(E) -N-desmethyltamoxifen-4-O-glucuronide
MBS6044133-01N-Desmethyltamoxifen-ethyl-d5 (N-Demethyltamoxifen-ethyl-d5)
D3220-90MN-Desmethyltamoxifen, Hydrochloride (N-Demethyltamoxifen, Hydrochloride_x000B_ (Z) -2-[4- (1,2-Diphenyl-1-butenyl) phenoxy]-N-methyl-ethanamine)
MBS6090073-01N-Desmethyltamoxifen, Hydrochloride (N-Demethyltamoxifen, Hydrochloride(Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N-methyl-ethanamine)
OH153454-01N, N', N'', N''', N'''', N''''', N''''''-Heptaacetylchitoheptaose
FH171463-01N, N, N', N', N'', N''-Hexamethoxymethylmelamine

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