estradiol-3-o-sulfamate

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Cross-References

ID Source	ID
PubMed CID	6918339
CHEMBL ID	219321
SCHEMBL ID	628174
MeSH ID	M0560906

Synonyms (32)

Synonym
e2mate
estradiol-3-o-sulfamate
j-995
bdbm50200937
estradiol 3-o-sulfamate
CHEMBL219321 ,
[(8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate
SCHEMBL628174
YXYXCSOJKUAPJI-ZBRFXRBCSA-N
17beta-hydroxyestra-1,3,5(10)-trien-3-yl sulfamate
estradiol sulfamate
estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-sulfamate
unii-wo55odw08z
estradiol 3-sulfamate
HY-U00112
CS-7149
zk190628
ble-00084
zk-190628
estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 3-sulfamate
pgl2001
WO55ODW08Z ,
j995
pgl-2001
j995e
DB06597
172377-52-5
es-j 995
ble 00084
MS-25445
DTXSID801337121
AKOS040733128

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (1)

Inhibition Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Steryl-sulfatase	Homo sapiens (human)	IC50 (µMol)	0.0160	0.0001	0.4071	7.6000	AID275881
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (3)

Process	via Protein(s)	Taxonomy
steroid catabolic process	Steryl-sulfatase	Homo sapiens (human)
female pregnancy	Steryl-sulfatase	Homo sapiens (human)
epidermis development	Steryl-sulfatase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (4)

Process	via Protein(s)	Taxonomy
steryl-sulfatase activity	Steryl-sulfatase	Homo sapiens (human)
sulfuric ester hydrolase activity	Steryl-sulfatase	Homo sapiens (human)
metal ion binding	Steryl-sulfatase	Homo sapiens (human)
arylsulfatase activity	Steryl-sulfatase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (9)

Process	via Protein(s)	Taxonomy
lysosome	Steryl-sulfatase	Homo sapiens (human)
endosome	Steryl-sulfatase	Homo sapiens (human)
endoplasmic reticulum	Steryl-sulfatase	Homo sapiens (human)
endoplasmic reticulum lumen	Steryl-sulfatase	Homo sapiens (human)
endoplasmic reticulum membrane	Steryl-sulfatase	Homo sapiens (human)
Golgi apparatus	Steryl-sulfatase	Homo sapiens (human)
plasma membrane	Steryl-sulfatase	Homo sapiens (human)
membrane	Steryl-sulfatase	Homo sapiens (human)
intracellular membrane-bounded organelle	Steryl-sulfatase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (14)

Assay ID	Title	Year	Journal	Article
AID247396	Inhibition of the growth of human breast cancer MCF-7 cells done for 2 hr at 37 degree C with compound	2005	Journal of medicinal chemistry, Aug-11, Volume: 48, Issue:16	A-ring-substituted estrogen-3-O-sulfamates: potent multitargeted anticancer agents.
AID247400	Concentration required to inhibit the growth of HCT116 human colon cancer cells by 50%	2005	Journal of medicinal chemistry, Aug-11, Volume: 48, Issue:16	A-ring-substituted estrogen-3-O-sulfamates: potent multitargeted anticancer agents.
AID1249497	Invivo inhibition of steroid sulfatase activity in healthy premenopausal women measured after 4 weeks	2015	Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19	Discovery and Development of the Aryl O-Sulfamate Pharmacophore for Oncology and Women's Health.
AID247406	Concentration required to inhibit the growth of OVCAR-3 human ovarian cancer cells by 50%	2005	Journal of medicinal chemistry, Aug-11, Volume: 48, Issue:16	A-ring-substituted estrogen-3-O-sulfamates: potent multitargeted anticancer agents.
AID247390	Concentration required to inhibit the growth of SF-539 human CNS cancer cells by 50%	2005	Journal of medicinal chemistry, Aug-11, Volume: 48, Issue:16	A-ring-substituted estrogen-3-O-sulfamates: potent multitargeted anticancer agents.
AID275881	Inhibition of STS in placental microsomes by radiometric assay	2006	Journal of medicinal chemistry, Dec-28, Volume: 49, Issue:26	2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity.
AID244799	Mean graph midpoint (MGM) against a panel of human tumor cell lines	2005	Journal of medicinal chemistry, Aug-11, Volume: 48, Issue:16	A-ring-substituted estrogen-3-O-sulfamates: potent multitargeted anticancer agents.
AID247387	Concentration required to inhibit the growth of UACC-62 human melanoma cells by 50%	2005	Journal of medicinal chemistry, Aug-11, Volume: 48, Issue:16	A-ring-substituted estrogen-3-O-sulfamates: potent multitargeted anticancer agents.
AID247409	Concentration required to inhibit the growth of MDA-MB-435 human breast cancer cells by 50%	2005	Journal of medicinal chemistry, Aug-11, Volume: 48, Issue:16	A-ring-substituted estrogen-3-O-sulfamates: potent multitargeted anticancer agents.
AID247405	Concentration required to inhibit the growth of DU-145 human prostate cancer cells by 50%	2005	Journal of medicinal chemistry, Aug-11, Volume: 48, Issue:16	A-ring-substituted estrogen-3-O-sulfamates: potent multitargeted anticancer agents.
AID1249492	Inhibition of STS activity in human placental microsome	2015	Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19	Discovery and Development of the Aryl O-Sulfamate Pharmacophore for Oncology and Women's Health.
AID1249498	Invivo inhibition of steroid sulfatase activity in healthy premenopausal women measured after 4 weeks in presence estrogen production inhibitor NETA	2015	Journal of medicinal chemistry, Oct-08, Volume: 58, Issue:19	Discovery and Development of the Aryl O-Sulfamate Pharmacophore for Oncology and Women's Health.
AID247389	Concentration required to inhibit the growth of HOP-6 human lung cancer cells by 50%	2005	Journal of medicinal chemistry, Aug-11, Volume: 48, Issue:16	A-ring-substituted estrogen-3-O-sulfamates: potent multitargeted anticancer agents.
AID247398	Concentration required to inhibit the growth of SN12C human renal cancer cells by 50%	2005	Journal of medicinal chemistry, Aug-11, Volume: 48, Issue:16	A-ring-substituted estrogen-3-O-sulfamates: potent multitargeted anticancer agents.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	2 (28.57)	29.6817
2010's	5 (71.43)	24.3611
2020's	0 (0.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.63

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

Metric	This Compound (vs All)
Research Demand Index	12.63 (24.57)
Research Supply Index	2.20 (2.92)
Research Growth Index	4.83 (4.65)
Search Engine Demand Index	0.00 (26.88)
Search Engine Supply Index	0.00 (0.95)

This Compound (12.63)

All Compounds (24.57)

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	1 (14.29%)	5.53%
Reviews	2 (28.57%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	4 (57.14%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
anastrozole [no description available]	2.11	1	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
letrozole [no description available]	2.11	1	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
norethindrone acetate norethisterone acetate : A 3-oxo Delta(4)-steroid that is norethisterone in which the hydroxy group has been converted to its acetate ester.	3.48	1	1	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
estrone Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens.	3.21	1	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
norethindrone Norethindrone: A synthetic progestational hormone with actions similar to those of PROGESTERONE but functioning as a more potent inhibitor of ovulation. It has weak estrogenic and androgenic properties. The hormone has been used in treating amenorrhea, functional uterine bleeding, endometriosis, and for CONTRACEPTION.. norethisterone : A 17beta-hydroxy steroid that is testosterone in which the hydrogen at position 17 is replaced by an ethynyl group and in which the methyl group attached to position 10 is replaced by hydrogen.	3.48	1	1	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
2-methoxyestradiol 2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2.	2.46	2	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
estrone-3-o-sulfamate estrone-3-O-sulfamate: a steroid sulfatase inhibitor	4.07	4	0
ym 511 YM 511: a non-steroidal aromatase inhibitor; structure given in first source	2.11	1	0
2-methoxyestrone 2-methoxyestrone : A 17-oxo steroid that is estrone in which the hydrogen at position 2 has been replaced by a methoxy group.	2.02	1	0	17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols	human metabolite; mouse metabolite
irosustat irosustat: Antineoplastic Agents, Hormonal; a tricyclic sulfamate ester; structure in first source	3.18	1	0
vorozole vorozole: structure given in first source; vorozole/R 83842 is ((+)/dextro-isomer), RN 129731-10-8; R 83839 ((-)/levo-isomer)	2.11	1	0	benzotriazoles
2-methoxyestradiol-3,17-o,o-bis(sulfamate) 2-methoxyestradiol-3,17-O,O-bis(sulfamate): an antiangiogenic microtubule disruptor; antineoplastic agent; structure in first source	2.46	2	0
2-meoemate [no description available]	2.46	2	0
4-methylcoumarin 7-o-sulfamate [no description available]	2.11	1	0
2-ethylestradiol sulfamate 2-ethyloestradiol-bis-sulfamate: structure in first source	2.46	2	0
warfarin Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.	3.21	1	0	benzenes; hydroxycoumarin; methyl ketone

Condition	Relationship Strength	Studies
Carcinoma, Lewis Lung A carcinoma discovered by Dr. Margaret R. Lewis of the Wistar Institute in 1951. This tumor originated spontaneously as a carcinoma of the lung of a C57BL mouse. The tumor does not appear to be grossly hemorrhagic and the majority of the tumor tissue is a semifirm homogeneous mass. (From Cancer Chemother Rep 2 1972 Nov;(3)1:325) It is also called 3LL and LLC and is used as a transplantable malignancy.	2.03	1
Breast Cancer [description not available]	3.67	3
Angiogenesis, Pathologic [description not available]	2.03	1
Breast Neoplasms Tumors or cancer of the human BREAST.	3.67	3
Endometrioma An enlarged area of ENDOMETRIOSIS that resembles a tumor. It is usually found in the OVARY. When it is filled with old blood, it is known as a chocolate cyst.	3.69	3
Cancer of Prostate [description not available]	3.42	2
Endometriosis A condition in which functional endometrial tissue is present outside the UTERUS. It is often confined to the PELVIS involving the OVARY, the ligaments, cul-de-sac, and the uterovesical peritoneum.	3.69	3
Prostatic Neoplasms Tumors or cancer of the PROSTATE.	3.42	2
Acetyl-CoA:alpha-Glucosaminide N-Acetyltransferase Deficiency [description not available]	3	1
Mucopolysaccharidosis III Mucopolysaccharidosis characterized by heparitin sulfate in the urine, progressive mental retardation, mild dwarfism, and other skeletal disorders. There are four clinically indistinguishable but biochemically distinct forms, each due to a deficiency of a different enzyme.	3	1

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