에스트론

Ketohydroxy-Estratriene

HCID 698CAS 53-16-7

기본 정보

표준 SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O
InChIKey
DNXHEGUUPJUMQT-CBZIJGRNSA-N
분자식
C18H22O2
평균 분자량
270.4 g/mol

개요

3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is a steroid. It has a role as an estrogen.

이름 및 식별자

우선 이름
Ketohydroxy-Estratriene
IUPAC
3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
현지명
에스트론
영어명
Estrone
분자식
C18H22O2
분자량
270.37

이름 및 동의어

Menformon AE1;Oestrone1187829-63-5FollestrolMestronaqNSC9699Fem-O-GenKetohydroxy-EstratrieneST019426Delta1,3,5(10)-Estratrien-3-ol-17-one3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-one
이름 더 보기
에스트론EstronOESTRONE200-164-5EsteroneHiestrone1,3,5(10)-ESTRATRIEN-3-OL-17-ONEESTROL(8R,9S,13S,14S)-3-hydroxy-13-Methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-oneFOLLICULIN
3-Hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17h-cyclopenta[a]phenanthren-17-one5-hydroxy-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadeca-2(7),3,5-trien-1 4-oneE(sub 1)FermidynFemestrone inj.NCGC00015423-03Follidrin (tablets)Duogen (Salt/Mix)

데이터베이스 식별자

CAS
53-16-7
PubChem CID
698
ChEMBL
CHEMBL756
ChEBI
CHEBI:95131

물성

구조 계산 물성

XLogP
3.1
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
20

물리화학적 성질

녹는점
258 · 258-260 °C(lit.)
끓는 점
353.48 °C · 353.48°C (rough estimate)
밀도
1.236 · 1.2360
굴절률
165 ° · 165 ° (C=1, Dioxane)
인화점
9 ℃ · 9℃
저장 조건
room temp
화학적 성질 · 1건

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.

안전 및 규제

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
KG8575000
ridadr
UN1230 - class 3 - PG 2 - Methanol, solution
HS 번호
29335995
risk_code
45-60-61-64-40-63-39/23/24/25-23/24/25-11

화학 및 산업

응용 분야 · 3건

개요Estrone 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.

용도Estrone 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.

일반 설명Estrone, 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.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

추가 설명

정의ChEBI: 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.

관련 반응

14건

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