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(Z)-4-Hydroxy-N-desmethyl Tamoxifen (mixture of isomers) , CAS No.112093-28-4, Inhibitor of CYP19A1

Moligand™

CAS#: 112093-28-4
Formula: C₂₅H₂₇NO₂
Molecular Weight: 373.49
EC Number: 683-027-6,808-709-4
PubChem CID: 10090750

Item Number

Z339716

Grouped product items
SKU	Size	Availability	Price	Qty
Z339716-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$294.90

a novel metabolite of tamoxifen

View related series

CYP19A1 Inhibitor

Basic Description

Synonyms	Endoxifen\|112093-28-4\|Z-Endoxifen\|4-Hydroxy-N-desmethyltamoxifen\|Endoxifen Z-Isomer\|N-Desmethyl-4-hydroxytamoxifen\|(Z)-Endoxifen\|110025-28-0\|4OHNDtam\|NSC-749798\|4-Hydroxy-N-desmethyl-tamoxifen\|CHEBI:80555\|46AF8680RC\|4-[(Z)-1-[4-[2-(methylamino)ethoxy]phen
Specifications & Purity	Moligand™
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of CYP19A1
Product Description	(Z)-4-Hydroxy-N-desmethyl Tamoxifen (mixture of isomers) is a novel active metabolite of the anti-cancer drug, Tamoxifen , and it contains up to 10% E isomer.

Associated Targets

ESR1 Tclin Estrogen receptor 0 Activities

Discover Target: ESR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ABCB1 Tchem Multidrug resistance protein 1 0 Activities

Discover Target: ABCB1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC6 Tclin Histone deacetylase 6 0 Activities

Discover Target: HDAC6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP19A1 Tclin Aromatase 2 Activities

Discover Target: CYP19A1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ALB Tchem Serum albumin 0 Activities

Discover Target: ALB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
INCHI	InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-
InChi Key	MHJBZVSGOZTKRH-IZHYLOQSSA-N
Canonical SMILES	CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCNC)C3=CC=CC=C3
Isomeric SMILES	CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3
Alternate CAS	112093-28-4,110025-28-0
PubChem CID	10090750
NSC Number	746494
MeSH Entry Terms	4-hydroxy-N-demethyltamoxifen;4-hydroxy-N-desmethyltamoxifen;4-hydroxy-N-desmethyltamoxifen, (Z)-isomer;endoxifen;Z-endoxifen
Molecular Weight	373.49

Solubility

Soluble in Chloroform

Melt Point(°C)

127-129

Safety and Hazards(GHS)

Pictogram(s)	GHS08, GHS07
Signal	Warning
Hazard Statements	H413:May cause long lasting harmful effects to aquatic life H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled H302+H312+H332:Harmful if swallowed, in contact with skin or if inhaled H361:Suspected of damaging fertility or the unborn child
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P203:Obtain, read and follow all safety instructions before use. P301+P317:IF SWALLOWED: Get medical help. P318:if exposed or concerned, get medical advice. P317:Get emergency medical help.

References

1. Maksina AG, Daĭniak BA, Rakhmanova IV. (1988) [Use of the spin label method for studying the structure of the brain membranes in cats with streptomycin poisoning].. Nauchnye Doki Vyss Shkoly Biol Nauki, 129 (11): (61-4). [PMID:2852035]
2. Ma J, Chu Z, Lu JBL, Liu J, Zhang Q, Liu Z, Tang D. (2018) The Cytochrome P450 Enzyme Responsible for the Production of (Z)-Norendoxifen in vitro.. Chem Biodivers, 15 (1): (589-97). [PMID:28834279]
3. Helland T, Henne N, Bifulco E, Naume B, Borgen E, Kristensen VN, Kvaløy JT, Lash TL, Alnæs GIG, van Schaik RH et al.. (2017) Serum concentrations of active tamoxifen metabolites predict long-term survival in adjuvantly treated breast cancer patients.. Breast Cancer Res, 19 (1): (125). [PMID:29183390]
4. Shagufta, Ahmad I. (2018) Tamoxifen a pioneering drug: An update on the therapeutic potential of tamoxifen derivatives.. Eur J Med Chem, 143 (3): (515-531). [PMID:29207335]
5. Skaar TC, Desta Z. (2018) CYP2D6 and Endoxifen in Tamoxifen Therapy: A Tribute to David A. Flockhart.. Clin Pharmacol Ther, 103 (5): (755-757). [PMID:29473149]
6. Sanchez-Spitman A, Dezentjé V, Swen J, Moes DJAR, Böhringer S, Batman E, van Druten E, Smorenburg C, van Bochove A, Zeillemaker A et al.. (2019) Tamoxifen Pharmacogenetics and Metabolism: Results From the Prospective CYPTAM Study.. J Clin Oncol, 37 (8): (636-646). [PMID:30676859]

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