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β-에스트라디올

β-에스트라디올
β-에스트라디올 구조식 이미지
카스 번호:
50-28-2
한글명:
β-에스트라디올
동의어(한글):
에스트라디올;β-에스트라디올
상품명:
β-ESTRADIOL
동의어(영문):
Evex;Cimara;Altrad;Evorel;Macrol;Menest;Systen;Estring;Bardiol;Climara
CBNumber:
CB2200244
분자식:
C18H24O2
포뮬러 무게:
272.39
MOL 파일:
50-28-2.mol

β-에스트라디올 속성

녹는점
178-179 °C(lit.)
끓는 점
355.44°C (rough estimate)
알파
D25 +76 to +83° (dioxane)
밀도
1.0708 (rough estimate)
굴절률
80.4 ° (C=1, Dioxane)
인화점
2℃
저장 조건
room temp
용해도
Practically insoluble in water, soluble in acetone, sparingly soluble in ethanol (96 per cent), slightly soluble in methylene chloride.
산도 계수 (pKa)
pKa 10.71±0.02(H2O(0.1% p-dioxane) t=25±0.1 I=0.03(KCl))(Approximate)
물리적 상태
powder
색상
White to off-white
수용성
Soluble in dimethyl sulfoxide, ethanol , water, phosphate buffer saline, dimethyl formamide, acetone, dioxane and alkali hydroxides. Slightly soluble in vegetable oils.
Merck
14,3703
BRN
1914275
안정성
Stable. Incompatible with strong oxidizing agents.
InChIKey
VOXZDWNPVJITMN-ZBRFXRBCSA-N
CAS 데이터베이스
50-28-2(CAS DataBase Reference)
NIST
Estra-1,3,5(10)-triene-3,17beta-diol(50-28-2)
EPA
Estradiol (50-28-2)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 T,Xn,F
위험 카페고리 넘버 60-61-45-63-64-40-36-20/21/22-11-48
안전지침서 53-22-36/37/39-45-36/37-26-16-36-20
유엔번호(UN No.) 2811
WGK 독일 3
RTECS 번호 KG2975000
F 고인화성물질 8-10
위험 등급 6.1
포장분류 III
HS 번호 29372390
유해 물질 데이터 50-28-2(Hazardous Substances Data)
독성 LD50 subcutaneous in rat: > 300mg/kg
그림문자(GHS):
신호 어: Danger
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H225 고인화성 액체 및 증기 인화성 액체 구분 2 위험 P210,P233, P240, P241, P242, P243,P280, P303+ P361+P353, P370+P378,P403+P235, P501
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 P264, P280, P305+P351+P338,P337+P313P
H350 암을 일으킬 수 있음 (노출되어도 암을 일으키지 않는다는 결정적인 증거가 있는 노출경로가 있다면 노출경로 기재) 발암성 물질 구분 1A, 1B 위험
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
H360 태아 또는 생식능력에 손상을 일으킬 수 있음 생식독성 물질 구분 1A, 1B 위험
H362 모유를 먹는 아이에게 유해할 수 있음 생식독성 물질,수유 또는 수유기에 미치는 영향 추가 카테고리 P201, P260, P263, P264, P270,P308+P313
예방조치문구:
P201 사용 전 취급 설명서를 확보하시오.
P202 모든 안전 조치 문구를 읽고 이해하기 전에는 취급하지 마시오.
P210 열·스파크·화염·고열로부터 멀리하시오 - 금연 하시오.
P260 분진·흄·가스·미스트·증기·...·스프레이를 흡입하지 마시오.
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P263 임신·수유 기간에는 접촉하지 마시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P281 요구되는 개인 보호구를 착용하시오
P308+P313 노출 또는 접촉이 우려되면 의학적인 조치· 조언를 구하시오.
P337+P313 눈에 대한 자극이 지속되면 의학적인 조치· 조언를 구하시오.
P405 밀봉하여 저장하시오.
P403+P235 환기가 잘 되는 곳에 보관하고 저온으로 유지하시오.

β-에스트라디올 MSDS


1,3,5-Estratriene-3,17beta-diol

β-에스트라디올 C화학적 특성, 용도, 생산

화학적 성질

White or almost white, crystalline powder or colourless crystals.

화학적 성질

Estradiol, 17-β-is an odorless white to yellow crystalline substance.

용도

17β-Estradiol is the major estrogen secreted by the premenopausal ovary.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.

용도

Estradiol is the major estrogen secreted by the premenopausal ovary.

용도

Estradiol USP (Estrace) is used to treat Breast cancer; prostatic carcinoma.

정의

ChEBI: The 17beta-isomer of estradiol.

원료

Estradiol is the most potent endogenous estrogen, exhibiting high affinity for the ER and high potency when administered parenterally. When administered orally, estradiol is promptly conjugated in the intestine and oxidatively metabolized by the liver, resulting in its low oral bioavailability and therapeutic effectiveness.

일반 설명

Estradiol, estra-1,3,5(10)-triene-3,17β-diol, is the most activeof the natural steroid estrogens. Although its 17β-OHgroup is vulnerable to bacterial and enzymatic oxidation toestrone, it can be temporarily protected as anester at C3 or C17, or permanently protected by adding a17α-alkyl group (e.g., 17α-ethinyl estradiol, the most commonlyused estrogen in oral contraceptives). The increasedoil solubility of the 17β-esters (relative to estradiol) permitsthe esters to remain in oil at the IM injection site for extendedperiods. These derivatives illustrate the principles of steroidmodification. Transdermal estradiolproducts avoid first-pass metabolism, allowing estradiol tobe as effective as oral estrogens for treating menopausalsymptoms. A new transdermal spray, Evamist, was approvedin 2007. Estradiol itself is typically not very effective orallybecause of rapid metabolism, but an oral formulation of micronizedestradiol that allows more rapid absorption of thedrug is available (Estrace). In addition to the oral and transdermalproducts, estradiol is also available in gel, cream, andvaginal ring formulations. The commercially available estradiolesters are the following:
Estradiol 3-acetate, USP (oral; vaginal ring)
Estradiol 17-valerate, USP (IM injection)
Estradiol 17-cypionate, USP (IM injection).

위험도

A carcinogen (OSHA).

생물학적 활성

Endogenous estrogen receptor (ER) agonist (K i values are 0.12 and 0.13 nM for ER α and ER β respectively). Also high affinity ligand at membrane estrogen GPR30 receptors.

색상 색인 번호

Natural estradiol, used in transdermal systems for hormonal substitution, can induce allergic contact dermatitis, with the risk of systemic contact dermatitis after oral reintroduction.

Safety Profile

Confirmed carcinogen with experimental carcinogenic, neoplastigenic, tumorigenic, and teratogenic data. A promoter. Human reproductive effects by ingestion: ferthty effects. Experimental reproductive effects. Human mutation data reported. A steroid hormone much used in medicine. When heated to decomposition it emits acrid smoke and irritating fumes.

Chemical Synthesis

Estradiol, estra-1,3,5(10)-trien-3,17β-diol (28.1.17), is most easily made by reducing the keto-group of estrone by various reducing agents, in particular potassium borohydride.

잠재적 노출

The working environment may be contaminated during sex hormone manufacture, especially during the extraction and purification of natural steroid hormones; grinding of raw materials; handling of powdered products and recrystallization. Airborne particles of sex hormones may be absorbed through the skin, ingested or inhaled. Enteric absorption results in quick inactivation of sex hormones in the liver. The rate of inactivation is decreased for the oral, alkylated steroid hormones (methyl testosterone, anabolic steroids, etc.). Sex hormones may accumulate and reach relatively high levels even if their absorption is intermittent. Consequently, repeated absorption of small amounts may be detrimental to health. Intoxication by sex hormones may occur in almost all the exposed workers if preventive measures are not taken. The effect in the industrial sector is more successful than the agricultural one (chemical caponizing of cockerels by stilbestrol implants and incorporation of estrogens in feed for body weight gain promotion in beef cattle), where measures taken are summary and the number of cases of intoxication is consequently bigger

운송 방법

UN3249 Medicine, solid, toxic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials

Purification Methods

17-Estradiol (previously known as -estradiol) is purified by chromatography on SiO2 (toluene/EtOAc 4:1) and recrystallised from CHCl3/hexane or 80% EtOH. It is stable in air, is insoluble in H2O, and is precipitated by digitonin. The UV has max at 225 and 280 nm. The diacetate [3434-88-6] has m 97-98o and forms leaflets from aqueous EtOH. The 3-benzoate crystallises from aqueous MeOH withm 193o and [] D 25 +58o to 63o (c 1, dioxane). [Meischer & Scholz Helv Chim Acta 20 263, 1237 1937, Biochem J 32 1273 1938, Oppolzer & Roberts Helv Chim Acta 63 1703 1980, Inhoffen & Zühlsdorff Chem Ber 7 4 1914 1941, Beilstein 6 IV 6611.]

β-에스트라디올 준비 용품 및 원자재

원자재

준비 용품


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