N-Desmethyltamoxifen | CAS#31750-48-8 | estrogen response modifer

N-Desmethyltamoxifen
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 561299

CAS#: 31750-48-8 (free base)

Description: N-Desmethyltamoxifen is the primary metabolite of tamoxifen. It is an estrogen response modifer and protein kinase C inhibitor.

Chemical Structure

N-Desmethyltamoxifen

CAS# 31750-48-8 (free base)

Instruction

Theoretical Analysis

MedKoo Cat#: 561299
Name: N-Desmethyltamoxifen
CAS#: 31750-48-8 (free base)
Chemical Formula: C25H27NO
Exact Mass: 357.21
Molecular Weight: 357.500
Elemental Analysis: C, 83.99; H, 7.61; N, 3.92; O, 4.48

Price and Availability

Size	Price	Availability
5mg	USD 450	2 Weeks
10mg	USD 750	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Related CAS #: 31750-48-8 (free base) 15917-65-4 (HCl)

Synonym: N-Desmethyltamoxifen; Desmethyltamoxifen; ICI-55548;

IUPAC/Chemical Name: 2-[4-[(Z)-1,2-Diphenylbut-1-enyl]phenoxy]-N-methylethanamine

InChi Key: NYDCDZSEEAUOHN-IZHYLOQSSA-N

InChi Code: 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-

SMILES Code: CC/C(C1=CC=CC=C1)=C(C2=CC=C(OCCNC)C=C2)\C3=CC=CC=C3

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 357.50 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Ahern TP, Hertz DL, Damkier P, Ejlertsen B, Hamilton-Dutoit SJ, Rae JM, Regan MM, Thompson AM, Lash TL, Cronin-Fenton DP. Cytochrome P-450 2D6 (CYP2D6) Genotype and Breast Cancer Recurrence in Tamoxifen-Treated Patients: Evaluating the Importance of Loss of Heterozygosity. Am J Epidemiol. 2017 Jan 15;185(2):75-85. doi: 10.1093/aje/kww178. Epub 2016 Dec 17. Review. PubMed PMID: 27988492; PubMed Central PMCID: PMC5253974.

2: Morad SA, Cabot MC. Tamoxifen regulation of sphingolipid metabolism--Therapeutic implications. Biochim Biophys Acta. 2015 Sep;1851(9):1134-45. doi: 10.1016/j.bbalip.2015.05.001. Epub 2015 May 9. Review. PubMed PMID: 25964209; PubMed Central PMCID: PMC4516673.

3: Jordan VC. New insights into the metabolism of tamoxifen and its role in the treatment and prevention of breast cancer. Steroids. 2007 Nov;72(13):829-42. Epub 2007 Jul 27. Review. PubMed PMID: 17765940; PubMed Central PMCID: PMC2740485.

4: Goetz MP, Loprinzi CL. A hot flash on tamoxifen metabolism. J Natl Cancer Inst. 2003 Dec 3;95(23):1734-5. Review. PubMed PMID: 14652227.

5: White IN. Tamoxifen: is it safe? Comparison of activation and detoxication mechanisms in rodents and in humans. Curr Drug Metab. 2003 Jun;4(3):223-39. Review. PubMed PMID: 12769667.

6: Bachmann-Moisson N, Barberi-Heyob M, Merlin JL, Ledrich ML, Batt AM, Guillemin F. [Cytotoxicity of tamoxifen and its principal metabolites in human breast cancer cell lines]. Bull Cancer. 1996 Oct;83(10):808-15. Review. French. PubMed PMID: 8952630.

7: Pasqualini JR, Sumida C, Giambiagi NA, Nguyen BL. The complexity of anti-estrogen responses. J Steroid Biochem. 1987;27(4-6):883-9. Review. PubMed PMID: 3320567.

8: Jordan VC. Metabolites of tamoxifen in animals and man: identification, pharmacology, and significance. Breast Cancer Res Treat. 1982;2(2):123-38. Review. PubMed PMID: 6184101.

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