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Hexestrol

Catalog No. S2473 Name Selleck Chemicals
CAS Number 84-16-2 Website http://www.selleckchem.com
M. F. C18H22O2 Telephone (877) 796-6397
M. W. 270.36608 Fax (832) 582-8590
Purity Email sales@selleckchem.com
Storage -20°C Chembase ID: 5561

SYNONYMS

IUPAC name
4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]phenol
IUPAC Traditional name
hexestrol
Synonyms
Bibenzyl
Dihydro-stilbestro
Cycloestrol

DATABASE IDS

CAS Number 84-16-2

PROPERTIES

Target Estrogen receptor
Salt Data Free Base
Storage Condition -20°C

DETAILS

Description (English)
Research Area
Description Cancer
Biological Activity
Description Hexestrol binds to Erα and ERβ with EC50 of 0.07 nM and 0.175 nM, respectively.
Targets ERα ERβ
IC50 0.07 nM (EC50) 0.175 nM (EC50) [1]
In Vitro Hexestrol binds to ERα with EC50 of 0.07 nM and to ERβ with EC50 of 0.175 nM. [1] Hexestrol inhibits activity of AKR1B13 with IC50 of 3.2 μM. [2] Hexestrol inhibits the d-galactose dehydrogenase activity of thermophilus aldose 1-dehydrogenase with IC50 of 0.063 mM. [3] Hexestrol inhibits the dehydrogenase activity of AKR1C20 towards 10 μM 4-androsten-3α-o1-17-one with IC50 values of 2.7 μM. [4] Hexestrol inhibits 17HSD5 with IC50 of 30 μM, and inhibits TBER1 with IC50 of 0.8 μM. [5] Hexestrol reacts with DNA through the catechol quinone, thus can be a carcinogen. [6]
In Vivo Hexestrol administered intraperitoneally at dose of 6 mg/kg may decrease ovulation in mice, as evident by smaller ovaries and decreased luteal bodies and oocytes. [7]
Clinical Trials
Features Much higher ERβ binding selectivity than Erα
Protocol
Kinase Assay [1]
Estrogen Receptor Binding Affinity Assays Relative binding affinities are determined by a competitive radiometric binding assay, using 10 nM [3H]estradiol as tracer, and purified full-length human ERα and ERβ. Incubations are for 18–24 h at 0 °C, then the receptor-ligand complexes are absorbed onto hydroxyapatite and unbound ligand is washed away. The binding affinities are expressed as relative binding affinity (RBA) values, with the RBA of estradiol set to 100. The values given are the average ± range or SD of two or more independent determinations. Hexestrol is tested as racemate.
Animal Study [7]
Animal Models adult mice aged 90-120 days
Formulation Saline
Doses 3 mg/kg and 6 mg/kg
Administration administered intraperitoneally once daily for 30 days
References
[1] Waibel M, et al. Eur J Med Chem, 2009, 44(9), 3412-3424.
[2] Endo S, et al. Chem Biol Interact, 2009, 178(1-3), 151-157.
[3] Asada Y, et al. Chem Biol Interact. 2009, 178(1-3), 117-126.
[4] Matsumoto K, et al. Biol Pharm Bull, 2006, 29(3), 539-542.
[5] Ishikura S, et al. J Biochem, 2006, 139(6), 1053-1063.
[6] Ishikura S, et al. Ann N Y Acad Sci, 2004, 1028, 247-257.