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Toremifene (citrate) (Standard)

CAT: 0804-HY-B0005R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0005R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Toremifene (citrate) (Standard) is the analytical standard of Toremifene (citrate) . This product is intended for research and analytical applications. Toremifene citrate (Z-Toremifene citrate) is a second-generation selective estrogen-receptor modulator (SERM) in development for the prevention of osteoporosis. Toremifene citrate also potent inhibits infectious EBOV Zaire and Marburg (MARV) with IC50 of 0.07 µM and 2.6 µM, respectively[1][2].
CAS Number
89778-27-8
Product Name Alternative
Z-Toremifene (citrate) (Standard) ; NK 622 (Standard) ; FC-1157a (Standard)
UNSPSC
12352005
Target
Apoptosis; Estrogen Receptor/ERR; Reference Standards
Type
Reference Standards
Related Pathways
Apoptosis; Others; Vitamin D Related/Nuclear Receptor
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/toremifene-citrate-standard.html
Smiles
ClCC/C(C1=CC=CC=C1)=C(C2=CC=C(OCCN(C)C)C=C2)\C3=CC=CC=C3.O=C(CC(C(O)=O)(O)CC(O)=O)O
Molecular Formula
C32H36ClNO8
Molecular Weight
598.08
References & Citations
[1]Matthew R Smith, Selective Estrogen Receptor Modulators to Prevent Treatment-Related Osteoporosis.Rev Urol. 2005; 7 (Suppl 3) : S30-S35.|[2]Gauri J Sabnis, Luciana Macedo, Olga Goloubeva, Toremifene - Atamestane; Alone or In Combination: Predictions from the Preclinical Intratumoral Aromatase Model. J Steroid Biochem Mol Biol. 2008 January; 108 (1-2) : 1-7.|[3]Taneja SS, Morton R, Barnette G, Prostate cancer diagnosis among men with isolated high-grade intraepithelial neoplasia enrolled onto a 3-year prospective phase III clinical trial of oral toremifene. J Clin Oncol. 2013 Feb 10;31 (5) :523-9.|[4]Laura Cooper, et al. Screening and Reverse-Engineering of Estrogen Receptor Ligands as Potent Pan-Filovirus Inhibitors. J Med Chem. 2020 Sep 4.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Toremifene Citrate

Toremifene citrate is a stilbenoid. It has a role as an anticoronaviral agent.

CAS Number89778-27-8
PubChem CID3005572
IUPAC Name2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC32H36ClNO8
Molecular Weight598.1
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count42
Formal Charge0
Complexity710
SMILES
CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;
InChIKey
IWEQQRMGNVVKQW-OQKDUQJOSA-N
Chemical Structure
2D Structure
2D structure of Toremifene Citrate
CAS: 89778-27-8
CID: 3005572
Formula: C32H36ClNO8
MW: 598.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight598.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass597.2129448
Monoisotopic Mass597.2129448
Topological Polar Surface Area145 Ų
Heavy Atom Count42
Formal Charge0
Complexity710
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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