에스트론

에스트론
에스트론 구조식 이미지
카스 번호:
53-16-7
한글명:
에스트론
동의어(한글):
에스트론
상품명:
Estrone
동의어(영문):
Estron;200-164-5;1,3,5(10)-ESTRATRIEN-3-OL-17-ONE;Esterone;Hiestrone;OESTRONE;(8R,9S,13S,14S)-3-hydroxy-13-Methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one;ESTROL;FOLLICULIN;Theelin
CBNumber:
CB5741416
분자식:
C18H22O2
포뮬러 무게:
270.37
MOL 파일:
53-16-7.mol
MSDS 파일:
SDS

에스트론 속성

녹는점
258-260 °C(lit.)
끓는 점
353.48°C (rough estimate)
알파
158 º (c=1, dioxane)
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)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
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): GHS hazard pictograms
신호 어: Danger
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H351 암을 일으킬 것으로 의심됨 (노출되어도 암을 일으키지 않는다는 결정적인 증거가 있는 노출경로가 있다면 노출경로 기재) 발암성 물질 구분 2 경고 P201, P202, P281, P308+P313, P405,P501
H362 모유를 먹는 아이에게 유해할 수 있음 생식독성 물질,수유 또는 수유기에 미치는 영향 추가 카테고리 P201, P260, P263, P264, P270,P308+P313
예방조치문구:
P202 모든 안전 조치 문구를 읽고 이해하기 전에는 취급하지 마시오.
P260 분진·흄·가스·미스트·증기·...·스프레이를 흡입하지 마시오.
P263 임신·수유 기간에는 접촉하지 마시오.
P264 취급 후에는 손을 철저히 씻으시오.
P264 취급 후에는 손을 철저히 씻으시오.
P270 이 제품을 사용할 때에는 먹거나, 마시거나 흡연하지 마시오.
P308+P313 노출 또는 접촉이 우려되면 의학적인 조치· 조언를 구하시오.

에스트론 MSDS


1,3,5(10)-Estratrien-3-ol-17-one

에스트론 C화학적 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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