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MedKoo Cat#: 540196 | Name: Hexestrol
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Description:

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

Hexestrol is a synthetic, nonsteroidal estrogen belonging to the stilbestrol group, structurally related to diethylstilbestrol (DES). It acts as a potent estrogen receptor agonist, promoting the transcription of estrogen-responsive genes and mimicking the physiological effects of endogenous estrogens. Due to its strong estrogenic activity, it has been used historically in hormone replacement therapy and research on estrogen signaling, though its clinical use is now limited due to safety concerns.

Chemical Structure

Hexestrol
Hexestrol
CAS#84-16-2

Theoretical Analysis

MedKoo Cat#: 540196

Name: Hexestrol

CAS#: 84-16-2

Chemical Formula: C18H22O2

Exact Mass: 270.1620

Molecular Weight: 270.37

Elemental Analysis: C, 79.96; H, 8.20; O, 11.83

Price and Availability

Size Price Availability Quantity
250mg USD 250.00 2 Weeks
1g USD 450.00 2 Weeks
5g USD 850.00 2 Weeks
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Related CAS #
No Data
Synonym
Cycloestrol; Erythrohexestrol; Hexoestrol; Mesohexestrol; Hexanoestrol; Sinestrol; NSC 9894; NSC9894; NSC-9894
IUPAC/Chemical Name
4,4'-((3R,4S)-hexane-3,4-diyl)diphenol
InChi Key
PBBGSZCBWVPOOL-HDICACEKSA-N
InChi Code
InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+
SMILES Code
CC[C@@H](C1=CC=C(O)C=C1)[C@@H](C2=CC=C(O)C=C2)CC
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

Preparing Stock Solutions

The following data is based on the product molecular weight 270.37 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.

Recalculate based on batch purity %
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
1: Syasina IG, Shved NA. Hexestrol- and nonylphenol-induced differential vitellogenin synthesis in female and male barfin plaice Liopsetta pinnifasciata. Environ Toxicol Pharmacol. 2015 Mar;39(2):597-605. doi: 10.1016/j.etap.2015.01.014. Epub 2015 Feb 2. PubMed PMID: 25682006. 2: Chen X, Ma Y, Chen D, Ma M, Li C. Electrochemical fabrication of polymerized imidazole-based ionic liquid bearing pyrrole moiety for sensitive determination of hexestrol in chicken meat. Food Chem. 2015 Aug 1;180:142-9. doi: 10.1016/j.foodchem.2015.02.038. Epub 2015 Feb 14. PubMed PMID: 25766811. 3: Hu WY, Kang XJ, Zhang C, Yang J, Ling R, Liu EH, Li P. Packed-fiber solid-phase extraction coupled with high performance liquid chromatography-tandem mass spectrometry for determination of diethylstilbestrol, hexestrol, and dienestrol residues in milk products. J Chromatogr B Analyt Technol Biomed Life Sci. 2014 Apr 15;957:7-13. doi: 10.1016/j.jchromb.2014.02.036. Epub 2014 Mar 2. PubMed PMID: 24636894. 4: Zhu Y, Qin Tan Y, Leung LK. Assessing placental corticotrophin-releasing hormone disruption by hexestrol in a cell model. Environ Toxicol Pharmacol. 2016 Dec;48:197-202. doi: 10.1016/j.etap.2016.10.003. Epub 2016 Oct 12. PubMed PMID: 27816005. 5: Pop AR, Groza I, Miclăuş V, Ciupe S, Muţiu G, Borzan M. The influence of hexestrol diacetate on gametogene function in male rabbit. Rom J Morphol Embryol. 2011;52(1 Suppl):413-7. PubMed PMID: 21424085. 6: Xu Q, Wang M, Yu S, Tao Q, Tang M. Trace analysis of diethylstilbestrol, dienestrol and hexestrol in environmental water by Nylon 6 nanofibers mat-based solid-phase extraction coupled with liquid chromatography-mass spectrometry. Analyst. 2011 Dec 7;136(23):5030-7. doi: 10.1039/c1an15494j. Epub 2011 Oct 12. PubMed PMID: 21994916. 7: de Oliveira JM, Simões MJ, Mora OA, Simões RS, Oliveira-Filho RM, Oliveira PB, Baracat EC, Soares JM Jr. Effects of hexestrol on mouse ovarian morphology and ovulation. Maturitas. 2008 Jun 20;60(2):153-7. doi: 10.1016/j.maturitas.2008.05.002. Epub 2008 Jun 17. PubMed PMID: 18562135. 8: Tobioka H, Kawashima R. Hexestrol residues and metabolites in the tissues of wethers injected with hexestrol dicaprylate or hexestrol. J Anim Sci. 1985 Feb;60(2):511-8. PubMed PMID: 2985528. 9: Liehr JG, Ballatore AM, Dague BB, Ulubelen AA. Carcinogenicity and metabolic activation of hexestrol. Chem Biol Interact. 1985 Oct;55(1-2):157-76. PubMed PMID: 2998630. 10: Nong S, Lin F, Huang X, Yuan D. Preparation of a stir bar sorptive extraction coating based on molecularly imprinted polymer and its application in the extraction of dienestrol and hexestrol in complicated samples. Se Pu. 2012 Nov;30(11):1133-42. PubMed PMID: 23451515. 11: Sakakibara Y, Oda T, Hirata A, Matsuhashi M, Sato Y. Effect of meso-hexestrol, a synthetic estrogen, on S-tubulin. Chem Pharm Bull (Tokyo). 1990 Dec;38(12):3419-22. PubMed PMID: 1965496. 12: George MJ, Marjanovic L, Williams DB. Picogram-level quantification of some growth hormones in bovine urine using mixed-solvent bubble-in-drop single drop micro-extraction. Talanta. 2015 Nov 1;144:445-50. doi: 10.1016/j.talanta.2015.06.070. Epub 2015 Jul 2. PubMed PMID: 26452846. 13: Tobioka H, Kawashima R. Gas-liquid chromatographic determination of hexestrol residues in adipose tissue. J Assoc Off Anal Chem. 1981 May;64(3):709-13. PubMed PMID: 6263853. 14: Sakakibara Y, Hasegawa K, Oda T, Saitô H, Kodama M, Hirata A, Matsuhashi M, Sato Y. Effects of synthetic estrogens, (R,R)-(+)-, (S,S)-(-)-, dl- and meso-hexestrol stereoisomers on microtubule assembly. Biochem Pharmacol. 1990 Jan 1;39(1):167-72. PubMed PMID: 2153376. 15: Zablocki JA, Katzenellenbogen JA, Carlson KE, Norman MJ, Katzenellenbogen BS. Estrogenic affinity labels: synthesis, irreversible receptor binding, and bioactivity of aziridine-substituted hexestrol derivatives. J Med Chem. 1987 May;30(5):829-38. PubMed PMID: 3033242. 16: Li L, Su M, Shi X, Wang Y, Wang M, He J. [Determination of estrogen residues in drinking water by on-line solid phase extraction based on sol-gel technique coupled with high performance liquid chromatography]. Se Pu. 2014 Feb;32(2):194-7. Chinese. PubMed PMID: 24822457. 17: Feil V, Aschbacher PW, Lamoureaux CH, Mansager ER. Carbon-14-labeled diethylstilbestrol synthesis by the McMurry method: concurrent formation of hexestrol. Science. 1977 Nov 4;198(4316):510-1. PubMed PMID: 910142. 18: Ouellet R, Rousseau J, Brasseur N, van Lier JE, Diksic M, Westera G. Synthesis, receptor binding, and target-tissue uptake of carbon-11 labeled carbamate derivatives of estradiol and hexestrol. J Med Chem. 1984 Apr;27(4):509-13. PubMed PMID: 6323712. 19: Kubista E, Grünberger W, Wolf G. [The effect of hexestrol on the breast in climacteric women (author's transl)]. Wien Med Wochenschr. 1979 Jan 15;129(1):16-9. German. PubMed PMID: 419761. 20: Katzenellenbogen JA, Myers HN, Johnson HJ Jr, kempton RJ, Carlson KE. Estrogen photoaffinity labels. 1. Chemical and radiochemical synthesis of hexestrol diazoketone and azide derivatives; photochemical studies in solution. Biochemistry. 1977 May 3;16(9):1964-70. PubMed PMID: 870033.