雌二醇-d3 | 79037-37-9

• 物质功能分类: 分析化学 - 标准品 - 挥发性有机化合物(VOCs)
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 中文名称: 雌二醇-d3
• 中文别名: 17β-Estra二醇-16,16,17-d3；17β-雌二醇-16,16,17-d3；17Alpha-雌二醇-16,16,17-d3；bata-雌二醇
• 英文名称: 17β-estradiol-16,16,17-d3
• 英文别名: estradiol-d3；[16,16,17α-(2)H3]-E2；17beta-Estradiol-16,16,17-d3；(8R,9S,13S,14S,17S)-16,16,17-trideuterio-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-diol
• CAS: 79037-37-9
• 化学式: C₁₈H₂₄O₂
• 分子量: 275.364
• InChiKey: VOXZDWNPVJITMN-SPGJGCHISA-N

物化性质

• 熔点：
  178-179 °C(lit.)
• 闪点：
  76℃
• 溶解度：
  二恶烷（微溶）、甲醇（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  T
• 安全说明：
  S22,S36/37/39,S45,S53
• 危险类别码：
  R61,R60
• WGK Germany：
  3

制备方法与用途

用途

Labelled Estradiol是一种在人体乳腺癌细胞组织培养中具有生物活性的雌激素，通常称为α-Estradiol或17 α-Estradiol。虽然17-α-Estradiol及其选择性受体ER-X并不属于经典的激素/受体内分泌系统，而是涉及发育和成年大脑中的重要自分泌/旁分泌功能。17- Estradiol可能对更年期的激素替代疗法以及治疗阿尔茨海默病和缺血性中风等神经退行性疾病具有巨大的潜在意义。

反应信息

• 作为反应物：
  描述：

  雌二醇-d3 、 乙酸酐 在 吡啶 作用下， 生成
  参考文献：
  名称：

  Assay of labile estrogen o-quinones, potent carcinogenic molecular species, by high performance liquid chromatography–electrospray ionization tandem mass spectrometry with phenazine derivatization

  摘要：

  A sensitive and selective assay method for labile estrogen o-quinones, estrone (E-1)-2,3-quinone (Q), E-1-3,4-Q, estrachol (E-2)-2,3-Q and E-2-3,4-Q based on the use of phenazine (Phz) derivatization with o-phenylenediamine and high performance liquid chromatography-electrospray ionization tandem mass spectrometry (HPLC-ESI-MS/MS) was described The Phz derivatives of four estrogen o-quinones were purified by solid phase extraction and analyzed by HPLC-ESI-MS/MS The protonated molecule was observed as a base peak for all Phz derivatives in their ESI-mass spectra (positive mode) In multiple reaction monitoring, the transition from [M+H](+) to m/z 231 was chosen for quantification Calibration curves for the o-quinones were obtained using standard catechol estrogens after sodium metaperiodate treatment and Phz derivatization Using this method, these four estrogen o-quinones were analyzed with the limit of quantification of 5 ng/ml in acetonitrile (MeCN)-blank matrix (1 4, v/v), respectively, on a basis of the weight of catechol estrogens Assay accuracy and precision for four estrogen o-quinones were 896-113 0% and 3 1-12.6% (5, 125 and 2000 ng/ml in MeCN-blank matrix) Applications of this method enabled to determine the catalytic activities on hydroxylation and subsequent oxidation of E-1 and E2 of Mushroom tyrosinase and rat liver microsomal fraction It was confirmed by this method that tyrosinase exhibited 2- and 4-hydroxylation and further oxidation activities for catechols in the ring-A of estrogens. Whereas rat liver microsomal fraction possessed only 2- and 4-hydroxylation activities, and further oxidation activity for catechol estrogens was low (C) 2010 Elsevier Ltd All rights reserved.

  DOI：

  10.1016/j.jsbmb.2010.02.016

文献信息

• Improvement of estradiol esters monitoring in bovine hair by dansylation and liquid chromatography/tandem mass spectrometry analysis in multiple reaction monitoring and precursor ion scan modes
  作者：E. Bichon、A. Béasse、S. Prevost、S. Christien、F. Courant、F. Monteau、B. Le Bizec

  DOI：10.1002/rcm.6160

  日期：2012.4.15

  practices in cattle in the European Union has become challenging since endogenous compounds such as estradiol derivatives can potentially be used as growth promoters. Due to the great difficulty in establishing a reference threshold value for endogenous steroids, the direct detection of steroid esters in hair is an efficient strategy for the detection of 'natural' steroid abuse in cattle. METHODS The

  理由：由于雌激素衍生物等内源性化合物有可能被用作生长促进剂，因此在欧盟，控制牛的同化代谢行为已成为一项挑战。由于很难为内源性类固醇建立参考阈值，因此直接检测头发中的类固醇酯是检测牛中“天然”类固醇滥用的有效策略。方法本研究旨在根据当前的欧洲标准开发和验证一种特定的液相色谱/串联质谱（LC / MS / MS）分析策略，以监测牛毛中的雌激素酯。丹磺酰化后通过阳离子电喷雾电离（ESI +）进行分析。然后评估了两种采集模式：单反应监测和前体离子扫描。结果结果表明，采用丹磺酰化步骤可大大提高LC /（ESI +）-MS / MS检测雌二醇17-酯的灵敏度。优化后，CCα值在1-10 ng g（-1）范围内，但癸酸酯化的癸酸酯除外，因为衍生化效率不高。此外，这种LC / MS / MS方法可以进行前体离子扫描，以筛选头发样品中这些雌二醇17-酯的存在。结论基于特定的产物离子，即天然条件下的m / z
• Female sex hormone degrading bacteria and use thereof
  申请人：EBARA CORPORATION

  公开号：EP1454980A2

  公开（公告）日：2004-09-08

  The present invention provides female sex hormone degrading bacteria belonging to the genus Novosphingobium, Sphingomonas or Ochrobactrum and having at least one of the property (a) the ability to degrade at least ethynylestradiol; the property (b) the ability to degrade at least 17β-estradiol and/or estrone, and having a degradation rate constant k1 for 17β-estradiol and/or estrone of 0.05 or more; and the property (c) the ability to degrade at least 17β-estradiol and/or estrone, and having the ability to decrease the concentration of 17β-estradiol and/or estrone, contained in wastewater, to less than 10 ng/L. These bacteria can efficiently degrade various female sex hormones, including recalcitrant synthetic female sex hormones, to such very low concentrations as not to affect the environment, and can easily be cultured and proliferated.

  本发明提供属于Novosphingobium属、Sphingomonas属或Ochrobactrum属的雌性激素降解细菌，该细菌至少具有以下特性之一：(a)降解至少乙炔雌二醇的能力；(b)降解至少17β-雌二醇和/或雌酮的能力，且17β-雌二醇和/或雌酮的降解速率常数k1为0.(c) 至少能降解 17β-estradiol 和/或雌酮，并能将废水中 17β-estradiol 和/或雌酮的浓度降至 10 纳克/升以下。这些细菌能有效地降解各种雌性激素，包括难降解的合成雌性激素，降解浓度极低，不会对环境造成影响，而且易于培养和增殖。
• ANALYSIS DEVICE
  申请人：Hitachi High-Technologies Corporation

  公开号：EP2543994A1

  公开（公告）日：2013-01-09

  Disclosed is an analysis device which can analyze substances with low blood concentration with high precision without having to make the device larger. The analysis device is composed of: a specimen disk equipped with specimen containers; a reagent disk equipped with reagent containers; a first disk equipped with first containers where purification of the subject component to be measured in the specimen is carried out; a second disk equipped with second containers where purification of the sample purified in the first container is carried out; and a mass spectrometry unit which measures the specimen purified in the second container.

  本发明公开了一种分析装置，无需增大装置体积，即可对低血药浓度物质进行高精度分析。该分析装置由以下部分组成：装有标本容器的标本盘；装有试剂容器的试剂盘；装有第一容器的第一盘，用于净化标本中的待测成分；装有第二容器的第二盘，用于净化在第一容器中净化的样品；以及测量在第二容器中净化的标本的质谱单元。
• US9128070B2
  申请人：——

  公开号：US9128070B2

  公开（公告）日：2015-09-08
• Assay of labile estrogen o-quinones, potent carcinogenic molecular species, by high performance liquid chromatography–electrospray ionization tandem mass spectrometry with phenazine derivatization
  作者：Kouwa Yamashita、Akina Masuda、Yuka Hoshino、Sachiko Komatsu、Mitsuteru Numazawa

  DOI：10.1016/j.jsbmb.2010.02.016

  日期：2010.4

  A sensitive and selective assay method for labile estrogen o-quinones, estrone (E-1)-2,3-quinone (Q), E-1-3,4-Q, estrachol (E-2)-2,3-Q and E-2-3,4-Q based on the use of phenazine (Phz) derivatization with o-phenylenediamine and high performance liquid chromatography-electrospray ionization tandem mass spectrometry (HPLC-ESI-MS/MS) was described The Phz derivatives of four estrogen o-quinones were purified by solid phase extraction and analyzed by HPLC-ESI-MS/MS The protonated molecule was observed as a base peak for all Phz derivatives in their ESI-mass spectra (positive mode) In multiple reaction monitoring, the transition from [M+H](+) to m/z 231 was chosen for quantification Calibration curves for the o-quinones were obtained using standard catechol estrogens after sodium metaperiodate treatment and Phz derivatization Using this method, these four estrogen o-quinones were analyzed with the limit of quantification of 5 ng/ml in acetonitrile (MeCN)-blank matrix (1 4, v/v), respectively, on a basis of the weight of catechol estrogens Assay accuracy and precision for four estrogen o-quinones were 896-113 0% and 3 1-12.6% (5, 125 and 2000 ng/ml in MeCN-blank matrix) Applications of this method enabled to determine the catalytic activities on hydroxylation and subsequent oxidation of E-1 and E2 of Mushroom tyrosinase and rat liver microsomal fraction It was confirmed by this method that tyrosinase exhibited 2- and 4-hydroxylation and further oxidation activities for catechols in the ring-A of estrogens. Whereas rat liver microsomal fraction possessed only 2- and 4-hydroxylation activities, and further oxidation activity for catechol estrogens was low (C) 2010 Elsevier Ltd All rights reserved.