Endoxifen, (E)-

Base Information

Chemical Name:Endoxifen, (E)-
CAS No.:110025-28-0
Molecular Formula:C25H27 N O2
Molecular Weight:373.495
Hs Code.:2922509090
European Community (EC) Number:808-709-4
NSC Number:750182
UNII:HB2U71MNOT
DSSTox Substance ID:DTXSID70150869
Nikkaji Number:J2.971.762A
Wikidata:Q26998030
Mol file:110025-28-0.mol

Synonyms:4-hydroxy-N-demethyltamoxifen;4-hydroxy-N-desmethyltamoxifen;4-hydroxy-N-desmethyltamoxifen, (Z)-isomer;endoxifen;Z-endoxifen

Suppliers and Price of Endoxifen, (E)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
N-Desmethyl-4-hydroxyTamoxifen(approx.1:1E/ZMixture)
25mg
$ 580.00

DC Chemicals
Endoxifen >98%
100 mg
$ 550.00

DC Chemicals
Endoxifen >98%
1 g
$ 1800.00

Cayman Chemical
(E/Z)-Endoxifen ≥98% (mixture of isomers)
1mg
$ 36.00

Cayman Chemical
(E/Z)-Endoxifen ≥98% (mixture of isomers)
5mg
$ 144.00

Cayman Chemical
(E/Z)-Endoxifen ≥98% (mixture of isomers)
10mg
$ 270.00

Cayman Chemical
(E/Z)-Endoxifen ≥98% (mixture of isomers)
25mg
$ 630.00

Biosynth Carbosynth
(E/Z)-Endoxifen
25 mg
$ 620.00

Biosynth Carbosynth
(E/Z)-Endoxifen
10 mg
$ 300.00

Biosynth Carbosynth
(E/Z)-Endoxifen
5 mg
$ 180.00

Total 30 raw suppliers

Chemical Property of Endoxifen, (E)-

Chemical Property:

Vapor Pressure:2.1E-11mmHg at 25°C
Melting Point:63-72°C
Boiling Point:519.3°Cat760mmHg
PKA:9.38±0.15(Predicted)
Flash Point:267.9°C
PSA：41.49000
Density:1.099g/cm³
LogP:5.75040
Storage Temp.:-20°C Freezer
Solubility.:Chloroform, Dichloromethane, DMSO, Methanol
XLogP3:6.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:373.204179104
Heavy Atom Count:28
Complexity:467

Purity/Quality:

99%, ^*data from raw suppliers

N-Desmethyl-4-hydroxyTamoxifen(approx.1:1E/ZMixture) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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
Uses A novel active metabolite of the anti-cancer drug Tamoxifen. It showed potent ER binding property, blocked estrogen stimulated growth of breast cancer cell and half maximal inhibition of estrogen responsive gene expression in ER pos. human breast ca A novel active metabolite of the anti-cancer drug Tamoxifen (T006000). It showed potent ER binding property, blocked estrogen stimulated growth of breast cancer cell and half maximal inhibition of estrogen responsive gene expression in ER pos. human breast cancer cell line.

Technology Process of Endoxifen, (E)-

There total 20 articles about Endoxifen, (E)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

: 74-89-5
methylamine

: 147323-02-2
E/Z-1-[4-(2-bromoethoxy)phenyl]-1-(4-hydroxyphenyl)-2-phenylbutene

: 110025-28-0
(E/Z)-4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-phenol

Guidance literature:: In tetrahydrofuran; at 60 ℃; for 48h;
DOI:10.1021/jm030352r

Reference yield: 91.0%

: 2-(4-(1-(4-benzyloxyphenyl)-2-phenylbut-1-en-1-yl)phenoxy)-N-methylethan-1-amine

: 110025-28-0
(E/Z)-4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-phenol

Guidance literature:: With boron tribromide; In dichloromethane; at -78 ℃; for 0.5h;

Reference yield:

: 103-65-1
phenylpropane

: 110025-28-0
(E/Z)-4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-phenol

Guidance literature:: Multi-step reaction with 5 steps

1.1: potassium tert-butoxide; n-butyllithium; tetramethylethylenediamine / hexane; tetrahydrofuran / 0.5 h / 20 °C

1.2: 97 percent / hexane; tetrahydrofuran / 4.5 h / -78 - 20 °C

2.1: 93 percent / aq. hydrochloric acid / ethanol; CH₂Cl₂ / Heating

3.1: 90 percent / aq. sodium hydroxide; tetrabutylammonium hydrogen sulfate / 18 h / 20 °C

4.1: 57 percent / boron tribromide / CH₂Cl₂ / 4.5 h

5.1: 91 percent / tetrahydrofuran / 48 h / 60 °C

With hydrogenchloride; sodium hydroxide; n-butyllithium; N,N,N,N,-tetramethylethylenediamine; potassium tert-butylate; tetra(n-butyl)ammonium hydrogensulfate; boron tribromide; In tetrahydrofuran; ethanol; hexane; dichloromethane;
DOI:10.1021/jm030352r