N-Desmethyltamoxifen HCl is the major metabolite of Tamoxifen in the human body. N-Desmethyltamoxifen, a weaker anti-estrogen, is a protein kinase C (PKC) inhibitor ten times more potent than Tamoxifen. N-Desmethyltamoxifen HCl is also an effective regulator of ceramide metabolism in human AML cells, limiting ceramide glycosylation, hydrolysis and sphingosine phosphorylation.

Physicochemical Properties

Molecular Formula	C25H27NO.HCL
Molecular Weight	393.94892
Exact Mass	393.186
CAS #	15917-65-4
Related CAS #	N-Desmethyltamoxifen;31750-48-8
PubChem CID	24200424
Appearance	White to off-white solid powder
Density	1.047g/cm3
Boiling Point	485.8ºC at 760mmHg
Melting Point	225-227ºC
Flash Point	213.2ºC
Vapour Pressure	8.21E-11mmHg at 25°C
LogP	6.846
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	28
Complexity	437
Defined Atom Stereocenter Count	0
SMILES	CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3.Cl
InChi Key	GMLHJWZEYLTNJW-BJFQDICYSA-N
InChi Code	InChI=1S/C25H27NO.ClH/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;1H/b25-24-;
Chemical Name	2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine;hydrochloride
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	All seven neuroastrocytoma cell lines (T98G, U87, U138, U373, ALW, AUK, and CAS cells) are significantly inhibited by N-desmethyltamoxifen hydrochloride (20–500 ng/mL; 48 hours) [1]. The human breast cancer cell line MCF 7 is inhibited in its proliferation by -desmethyltamoxifen salted (1.5-10 μM; 114 h) [2]. N-desmethyltamoxifen salted: CYP3A4/5 mediates the catalytic action of tamoxifen, which is the catalytic impact of tamoxifen.
Cell Assay	Cell Viability Assay[2] Cell Types: MCF 7 human breast cancer cells Tested Concentrations: 1.5, 2.5, 5, 7.5, 10 μM Incubation Duration: 114 hrs (hours) Experimental Results: Inhibition of the growth of MCF 7 human breast cancer cells
References	[1]. A comparison of the relative chemosensitivity of human gliomas to tamoxifen and n-desmethyltamoxifen in vitro. J Neurooncol. 1994;19(2):97-103. [2]. 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]. N-desmethyltamoxifen inhibits growth of MCF 7 human mammary carcinoma cells in vitro. Eur J Cancer Clin Oncol. 1983 Aug;19(8):1179-81.

Solubility Data

Solubility (In Vitro)

DMSO : ~62.5 mg/mL (~158.65 mM) H2O : ~1 mg/mL (~2.54 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.28 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (5.28 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (5.28 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.5384 mL	12.6920 mL	25.3839 mL
	5 mM	0.5077 mL	2.5384 mL	5.0768 mL
	10 mM	0.2538 mL	1.2692 mL	2.5384 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.