84-16-2,MFCD00068996
Catalog No.:AA004ZFN

84-16-2 | Hexestrol

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Purity
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1mg
99%
in stock  
$7.00   $5.00
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50mg
99%
in stock  
$14.00   $10.00
- +
250mg
99%
in stock  
$38.00   $27.00
- +
500mg
≥98%
in stock  
$46.00   $32.00
- +
1g
≥98%
in stock  
$82.00   $57.00
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5g
≥98%
in stock  
$306.00   $214.00
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10g
98%
in stock  
$432.00   $303.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA004ZFN
Chemical Name:
Hexestrol
CAS Number:
84-16-2
Molecular Formula:
C18H22O2
Molecular Weight:
270.3661
MDL Number:
MFCD00068996
SMILES:
CC[C@H]([C@@H](c1ccc(cc1)O)CC)c1ccc(cc1)O
NSC Number:
9894
Properties
Properties
 
BP:
353.48°C (rough estimate)  
Form:
Solid  
MP:
186 °C  
Refractive Index:
1.4800 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
235  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
5.2  

Literature

Title: Dynamic liquid-liquid-solid microextraction based on molecularly imprinted polymer filaments on-line coupling to high performance liquid chromatography for direct analysis of estrogens in complex samples.

Journal: Journal of chromatography. A 20120608

Title: Comparison of the diagnostic accuracy of di-22:6-bis(monoacylglycerol)phosphate and other urinary phospholipids for drug-induced phospholipidosis or tissue injury in the rat.

Journal: International journal of toxicology 20120101

Title: 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.

Journal: The Analyst 20111207

Title: The influence of hexestrol diacetate on gametogene function in male rabbit.

Journal: Romanian journal of morphology and embryology = Revue roumaine de morphologie et embryologie 20110101

Title: [Enzyme immunoassay for the determination of hexestrol in meat].

Journal: Prikladnaia biokhimiia i mikrobiologiia 20110101

Title: Assessment of a robust model protocol with accelerated throughput for a human recombinant full length estrogen receptor-alpha binding assay: protocol optimization and intralaboratory assay performance as initial steps towards validation.

Journal: Reproductive toxicology (Elmsford, N.Y.) 20100801

Title: Phenethyl pyridines with non-polar internal substituents as selective ligands for estrogen receptor beta.

Journal: European journal of medicinal chemistry 20090901

Title: [Effects of Yi Fu Ning soft gelatin capsules on reproductive endocrine-immune function of ovariectomized rats].

Journal: Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20090701

Title: [Determination of hormone multi-residues in animal tissues by gas chromatography-mass spectrometry].

Journal: Se pu = Chinese journal of chromatography 20090501

Title: Structure of the G225P/G226P mutant of mouse 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21) ternary complex: implications for the binding of inhibitor and substrate.

Journal: Acta crystallographica. Section D, Biological crystallography 20090301

Title: Steatohepatitis-inducing drugs trigger cytokeratin cross-links in hepatocytes. Possible contribution to Mallory-Denk body formation.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20080901

Title: Effects of hexestrol on mouse ovarian morphology and ovulation.

Journal: Maturitas 20080620

Title: Synthesis of [4.6.4.6]fenestradienes and [4.6.4.6]fenestrenes based on an 8pi-6pi-cyclization-oxidation cascade.

Journal: Journal of the American Chemical Society 20080416

Title: Studies on thermal reactivity of beta-(1,2-allenyl)butenolides and 2-allyl-3-allenylcyclohex-2-enones.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20080101

Title: [Hexestrol inhibits ATP-induced contractile response of isolated preparations of pregnant human uterus].

Journal: Eksperimental'naia i klinicheskaia farmakologiia 20080101

Title: Comparison of time-resolved fluoroimmunoassay for determining hexoestrol residues in chicken muscle tissues based on polyclonal antibodies with liquid chromatography and tandem mass spectrometry.

Journal: Annali di chimica 20070101

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling 20061101

Title: [Determination of residues of three stilbene drugs in animal tissues using gas chromatography-mass spectrometry].

Journal: Se pu = Chinese journal of chromatography 20060901

Title: Determination of hexoestrol residues in animal tissues based on enzyme-linked immunosorbent assay and comparison with liquid chromatography-tandem mass spectrometry.

Journal: Journal of pharmaceutical and biomedical analysis 20060607

Title: On-line coupling of pressurized capillary electrochromatography with end-column amperometric detection for analysis of estrogens.

Journal: Electrophoresis 20050601

Title: Formation of the depurinating N3adenine and N7guanine adducts by reaction of DNA with hexestrol-3',4'-quinone or enzyme-activated 3'-hydroxyhexestrol. Implications for a unifying mechanism of tumor initiation by natural and synthetic estrogens.

Journal: Steroids 20050101

Title: Ring nitrogen-substituted non-steroidal estrogens: pyridine and pyrimidine analogs of the phenol in deoxyhexestrol experience resonance constraints on preferred ligand conformation.

Journal: Bioorganic & medicinal chemistry letters 20041206

Title: Rapid yeast estrogen bioassays stably expressing human estrogen receptors alpha and beta, and green fluorescent protein: a comparison of different compounds with both receptor types.

Journal: The Journal of steroid biochemistry and molecular biology 20040701

Title: [Inhibitory effect of zinc on beta-hexosaminidase release from RBL-2H3 cells by synthetic chemicals].

Journal: Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20040401

Title: Drug-induced steatohepatitis.

Journal: Clinics in liver disease 20030501

Title: Validation of screening method for residues of diethylstilbestrol, dienestrol, hexestrol, and zeranol in bovine urine using immunoaffinity chromatography and gas chromatography/mass spectrometry.

Journal: Journal of AOAC International 20030101

Title: [Effects of veterinary drugs on beta-hexosaminidase release from rat basophilic leukemia cells (RBL-2H3)].

Journal: Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20021001

Title: (4R,5S)/(4S,5R)-4,5-Bis(4-hydroxyphenyl)-2-imidazolines: ligands for the estrogen receptor with a novel binding mode.

Journal: Journal of medicinal chemistry 20020801

Title: Subacute toxicity of diethylstilboestrol and hexoestrol in the female rat, and the effects of clomiphene pretreatment.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 19880301

Title: Vitamin K-dependent blood clotting changes in female rats treated with oestrogens.

Journal: Thrombosis and haemostasis 19870603

Title: Carcinogenicity and metabolic activation of hexestrol.

Journal: Chemico-biological interactions 19851001

Title: High incidence of hepatocellular carcinomas after synthetic estrogen administration in Syrian golden hamsters fed alpha-naphthoflavone: a new tumor model.

Journal: Journal of the National Cancer Institute 19840801

Title: Stricture of the anterior urethra following estrogen therapy in patients with prostatic cancer.

Journal: Urologia internationalis 19830101

Title: [The effect of the hormonal regime of rats on liver tumor induction by n-dimethylaminoazobenzene].

Journal: Patologicheskaia fiziologiia i eksperimental'naia terapiia 19700101

Title: HARDING FE, et, al. The oral use of hexestrol for estrogen deficiency. Am J Obstet Gynecol. 1946 May; 51: 660-5.

Title: Oliveira JM, et, al. Effects of hexestrol on mouse ovarian morphology and ovulation. Maturitas. 2008 Jun 20; 60(2): 153-7.

Title: Kuiper GG, et, al. Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors alpha and beta. Endocrinology. 1997 Mar;138(3):863-70.

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SDS
Tags:84-16-2 Molecular Formula|84-16-2 MDL|84-16-2 SMILES|84-16-2 Hexestrol
Catalog No.: AA004ZFN
84-16-2,MFCD00068996
84-16-2 | Hexestrol
Pack Size: 1mg
Purity: 99%
in stock
$7.00 $5.00
Pack Size: 50mg
Purity: 99%
in stock
$14.00 $10.00
Pack Size: 250mg
Purity: 99%
in stock
$38.00 $27.00
Pack Size: 500mg
Purity: ≥98%
in stock
$46.00 $32.00
Pack Size: 1g
Purity: ≥98%
in stock
$82.00 $57.00
Pack Size: 5g
Purity: ≥98%
in stock
$306.00 $214.00
Pack Size: 10g
Purity: 98%
in stock
$432.00 $303.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA004ZFN
Chemical Name: Hexestrol
CAS Number: 84-16-2
Molecular Formula: C18H22O2
Molecular Weight: 270.3661
MDL Number: MFCD00068996
SMILES: CC[C@H]([C@@H](c1ccc(cc1)O)CC)c1ccc(cc1)O
NSC Number: 9894
Properties
BP: 353.48°C (rough estimate)  
Form: Solid  
MP: 186 °C  
Refractive Index: 1.4800 (estimate)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 235  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 2  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 5  
XLogP3: 5.2  
Literature fold

Title: Dynamic liquid-liquid-solid microextraction based on molecularly imprinted polymer filaments on-line coupling to high performance liquid chromatography for direct analysis of estrogens in complex samples.

Journal: Journal of chromatography. A20120608

Title: Comparison of the diagnostic accuracy of di-22:6-bis(monoacylglycerol)phosphate and other urinary phospholipids for drug-induced phospholipidosis or tissue injury in the rat.

Journal: International journal of toxicology20120101

Title: 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.

Journal: The Analyst20111207

Title: The influence of hexestrol diacetate on gametogene function in male rabbit.

Journal: Romanian journal of morphology and embryology = Revue roumaine de morphologie et embryologie20110101

Title: [Enzyme immunoassay for the determination of hexestrol in meat].

Journal: Prikladnaia biokhimiia i mikrobiologiia20110101

Title: Assessment of a robust model protocol with accelerated throughput for a human recombinant full length estrogen receptor-alpha binding assay: protocol optimization and intralaboratory assay performance as initial steps towards validation.

Journal: Reproductive toxicology (Elmsford, N.Y.)20100801

Title: Phenethyl pyridines with non-polar internal substituents as selective ligands for estrogen receptor beta.

Journal: European journal of medicinal chemistry20090901

Title: [Effects of Yi Fu Ning soft gelatin capsules on reproductive endocrine-immune function of ovariectomized rats].

Journal: Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials20090701

Title: [Determination of hormone multi-residues in animal tissues by gas chromatography-mass spectrometry].

Journal: Se pu = Chinese journal of chromatography20090501

Title: Structure of the G225P/G226P mutant of mouse 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21) ternary complex: implications for the binding of inhibitor and substrate.

Journal: Acta crystallographica. Section D, Biological crystallography20090301

Title: Steatohepatitis-inducing drugs trigger cytokeratin cross-links in hepatocytes. Possible contribution to Mallory-Denk body formation.

Journal: Toxicology in vitro : an international journal published in association with BIBRA20080901

Title: Effects of hexestrol on mouse ovarian morphology and ovulation.

Journal: Maturitas20080620

Title: Synthesis of [4.6.4.6]fenestradienes and [4.6.4.6]fenestrenes based on an 8pi-6pi-cyclization-oxidation cascade.

Journal: Journal of the American Chemical Society20080416

Title: Studies on thermal reactivity of beta-(1,2-allenyl)butenolides and 2-allyl-3-allenylcyclohex-2-enones.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20080101

Title: [Hexestrol inhibits ATP-induced contractile response of isolated preparations of pregnant human uterus].

Journal: Eksperimental'naia i klinicheskaia farmakologiia20080101

Title: Comparison of time-resolved fluoroimmunoassay for determining hexoestrol residues in chicken muscle tissues based on polyclonal antibodies with liquid chromatography and tandem mass spectrometry.

Journal: Annali di chimica20070101

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling20061101

Title: [Determination of residues of three stilbene drugs in animal tissues using gas chromatography-mass spectrometry].

Journal: Se pu = Chinese journal of chromatography20060901

Title: Determination of hexoestrol residues in animal tissues based on enzyme-linked immunosorbent assay and comparison with liquid chromatography-tandem mass spectrometry.

Journal: Journal of pharmaceutical and biomedical analysis20060607

Title: On-line coupling of pressurized capillary electrochromatography with end-column amperometric detection for analysis of estrogens.

Journal: Electrophoresis20050601

Title: Formation of the depurinating N3adenine and N7guanine adducts by reaction of DNA with hexestrol-3',4'-quinone or enzyme-activated 3'-hydroxyhexestrol. Implications for a unifying mechanism of tumor initiation by natural and synthetic estrogens.

Journal: Steroids20050101

Title: Ring nitrogen-substituted non-steroidal estrogens: pyridine and pyrimidine analogs of the phenol in deoxyhexestrol experience resonance constraints on preferred ligand conformation.

Journal: Bioorganic & medicinal chemistry letters20041206

Title: Rapid yeast estrogen bioassays stably expressing human estrogen receptors alpha and beta, and green fluorescent protein: a comparison of different compounds with both receptor types.

Journal: The Journal of steroid biochemistry and molecular biology20040701

Title: [Inhibitory effect of zinc on beta-hexosaminidase release from RBL-2H3 cells by synthetic chemicals].

Journal: Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan20040401

Title: Drug-induced steatohepatitis.

Journal: Clinics in liver disease20030501

Title: Validation of screening method for residues of diethylstilbestrol, dienestrol, hexestrol, and zeranol in bovine urine using immunoaffinity chromatography and gas chromatography/mass spectrometry.

Journal: Journal of AOAC International20030101

Title: [Effects of veterinary drugs on beta-hexosaminidase release from rat basophilic leukemia cells (RBL-2H3)].

Journal: Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan20021001

Title: (4R,5S)/(4S,5R)-4,5-Bis(4-hydroxyphenyl)-2-imidazolines: ligands for the estrogen receptor with a novel binding mode.

Journal: Journal of medicinal chemistry20020801

Title: Subacute toxicity of diethylstilboestrol and hexoestrol in the female rat, and the effects of clomiphene pretreatment.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association19880301

Title: Vitamin K-dependent blood clotting changes in female rats treated with oestrogens.

Journal: Thrombosis and haemostasis19870603

Title: Carcinogenicity and metabolic activation of hexestrol.

Journal: Chemico-biological interactions19851001

Title: High incidence of hepatocellular carcinomas after synthetic estrogen administration in Syrian golden hamsters fed alpha-naphthoflavone: a new tumor model.

Journal: Journal of the National Cancer Institute19840801

Title: Stricture of the anterior urethra following estrogen therapy in patients with prostatic cancer.

Journal: Urologia internationalis19830101

Title: [The effect of the hormonal regime of rats on liver tumor induction by n-dimethylaminoazobenzene].

Journal: Patologicheskaia fiziologiia i eksperimental'naia terapiia19700101

Title: HARDING FE, et, al. The oral use of hexestrol for estrogen deficiency. Am J Obstet Gynecol. 1946 May; 51: 660-5.

Title: Oliveira JM, et, al. Effects of hexestrol on mouse ovarian morphology and ovulation. Maturitas. 2008 Jun 20; 60(2): 153-7.

Title: Kuiper GG, et, al. Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors alpha and beta. Endocrinology. 1997 Mar;138(3):863-70.

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