에스트론

한글명:에스트론

카스 번호53-16-7

상품명:Estrone

CBNumberCB5741416

분자식C18H22O2

포뮬러 무게270.37

MOL 파일53-16-7.mol

동의어(한글)

에스트론

화학적 성질

녹는점	258-260 °C(lit.)
알파	158 º (c=1, dioxane)
끓는 점	353.48°C (rough estimate)
밀도	1.2360
굴절률	165 ° (C=1, Dioxane)
인화점	9℃
저장 조건	room temp
용해도	클로로포름(약간 용해됨), 디옥산(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)	pKa 10.77±0.02(H2O)(Approximate)
물리적 상태	결정질 분말 또는 결정
색상	흰색에서 거의 흰색
수용성	0.03g/L
Merck	3708
BRN	1915077
InChIKey	DNXHEGUUPJUMQT-CBZIJGRNSA-N
CAS 데이터베이스	53-16-7(CAS DataBase Reference)
NIST	3-Hydroxyestra-1,3,5(10)-trien-17-one(53-16-7)
EPA	Estrone (53-16-7)

위험 및 안전 성명

위험품 표기	T,F
위험 카페고리 넘버	45-60-61-64-40-63-39/23/24/25-23/24/25-11
안전지침서	53-45-36/37-16
유엔번호(UN No.)	UN1230 - class 3 - PG 2 - Methanol, solution
WGK 독일	3
RTECS 번호	KG8575000
HS 번호	29335995
유해 물질 데이터	53-16-7(Hazardous Substances Data)

그림문자(GHS)

에스트론 MSDS

에스트론 화학적 특성, 용도, 생산

개요
Estrone is one of the three naturally occurring estrogens, the others being estradiol and estriol. Estrone is synthesized from androstenedione by the aromatase enzyme system in the ovaries and placenta, and is also synthesized from estradiol by 17-hydroxy steroid dehydrogenase in the liver.Serum concentrations of estrone in premenopausal women fluctuate according to the menstrual cycle and becomes the most predominant estrogen in postmenopausal women.The binding affinities of estrone to the estrogen receptors α and β are approximately 60% and 37% relative to estradiol.
화학적 성질
Estrone is an odorless white crystalline powder.
Estrone is supplied as a crystalline solid. A stock solution may be made by dissolving the estrone in an organic solvent purged with an inert gas. Estrone is soluble in organic solvents such as DMSO and dimethyl formamide (DMF). The solubility of estrone in these solvents is approximately 20 mg/ml.
Estrone is sparingly soluble in aqueous buffers. For maximum solubility in aqueous buffers, estrone should first be dissolved in DMF and then diluted with the aqueous buffer of choice. Estrone has a solubility of approximately 0.15 mg/ml in a1:5 solution of DMF:PBS (pH 7.2) using this method. We do not recommend storing the aqueous solution for more than one day.
용도
Estrone is a metabolite of 17β-Estradiol (E888000). During the metabolism, it is in rapid equilibrium with Estriol (E888960) and 17β-Estradiol (E888000) (1). Causes the feminization of male fish at human and animal waste sites (2).This compound is a contaminant of emerging concern (CECs). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.
정의
ChEBI: A 17-oxo steroid that is estra-1,3,5(10)-triene substituted by an hydroxy group at position 3 and an oxo group at position 17.
일반 설명
Estrone, 3-hydroxyestra-1,3,5(10)-trien-17-one, is less active than estradiol but more active than itsmetabolite, estriol. As the salt of its 3-sulfate ester, estroneis the primary ingredient in conjugated estrogens, USP, andesterified estrogens, USP. Although originally obtainedfrom the urine of pregnant mares (about 10 mg/L), estroneis now prepared synthetically. Estrone itself is not availablein commercial oral formulations, but can be obtained at compounding pharmacies as a topical formulation. Oleoylestrone,the C3 ester of estrone with oleic acid, is in phase IIclinical trials for the treatment of obesity. This acyl estronederivative reduces fat stores by a mechanism not involvingthe ER, although some of the oleoyl-estrone is hydrolyzedto estrone in vivo.
위험도
A carcinogen (OSHA).
Safety Profile
Confirmed carcinogen with experimental carcinogenic, neoplastigenic, tumorigenic, and teratogenic data. A poison by intraperitoneal and subcutaneous routes. Human reproductive effects by implantation: spermatogenesis and impotence. Mutation data reported. A steroid drug for the treatment of menopause and ovariectomy symptoms. When heated to decomposition it emits acrid smoke and irritating fumes.
잠재적 노출
Synthesized from ergosterol. Used in combination with progestogen as an oral contraceptive.
운송 방법
UN3249 Medicine, solid, toxic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials.
Purification Methods
Purify estrone by chromatography on silica gel, eluting with 2:1 hexane/EtOAc and recrystallising from EtOH or Et2O/EtOH. [Danishefsky & Cain J Am Chem Soc 98 4975 1976.] The acetate [901-93-9] crystallises from EtOH with m 125-127o. [Beilstein 8 III 1171.]
비 호환성
May react exothermically with reducing agents to generate flammable gaseous hydrogen. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, and epoxides.

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