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Merck
CN

E125

β-雌二醇

别名:

17β-雌二醇, 1,3,5-雌三烯-3,17β-二醇, 3,17β-二羟基-1,3,5(10)-雌三烯, 二氢卵泡素

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关于此项目

经验公式(希尔记法):
C18H24O2
化学文摘社编号:
分子量:
272.38
EC Number:
200-023-8
UNSPSC Code:
12352200
PubChem Substance ID:
Beilstein/REAXYS Number:
1914275
MDL number:
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mp

176-180 °C (lit.)

storage temp.

2-8°C

SMILES string

O[C@H]1CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@@]21C

InChI

1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1

InChI key

VOXZDWNPVJITMN-ZBRFXRBCSA-N

Gene Information

human ... ESR1(2099)

Biochem/physiol Actions

绝经前卵巢分泌的主要雌激素。
绝经前卵巢分泌的主要雌激素。雌激素通过调节基因转录并因此调节蛋白质合成来指导胚胎发生和青春期女性表型的发展。 它还诱导促性腺激素的产生,进而诱导排卵。 暴露于雌二醇会增加乳腺癌的发生率和增殖。


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存储类别

10 - Combustible liquids

wgk

WGK 1

flash_point_f

188.6 °F

flash_point_c

87 °C

ppe

Eyeshields, Gloves, type P3 (EN 143) respirator cartridges

法规信息

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分析证书(COA)

Lot/Batch Number

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Pascal Pigeon et al.
Journal of medicinal chemistry, 48(8), 2814-2821 (2005-04-15)
A series of ruthenocene derivatives, 1-[4-(O(CH(2))(n)()N(CH(3))(2))phenyl]-1-(4-hydroxyphenyl)-2-ruthenocenylbut-1-ene, with n = 2-5, based on the structure of the breast cancer drug tamoxifen has been prepared. These compounds were obtained, via a McMurry cross-coupling reaction, as a mixture of Z and E isomers
Artem Cherkasov et al.
Journal of medicinal chemistry, 49(25), 7466-7478 (2006-12-08)
A combination of protein-ligand docking and ligand-based QSAR approaches has been elaborated, aiming to speed-up the process of virtual screening. In particular, this approach utilizes docking scores generated for already processed compounds to build predictive QSAR models that, in turn
James S Wright et al.
Journal of medicinal chemistry, 54(2), 433-448 (2010-12-31)
Long-term use of estrogen supplements by women leads to an increased risk of breast and uterine cancers. Possible mechanisms include metabolism of estradiol and compounds related to tumor-initiating quinones, and ligand-induced activation of the estrogen receptors ERα and ERβ which



全球贸易项目编号

货号GTIN
SAB1306163-400UL04061835631612