1-(3-碘丙氧基)-4-甲氧基苯 | 105078-92-0

• 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: 1-(3-碘丙氧基)-4-甲氧基苯
• 英文名称: <21-2H3>-17α-hydroxypregnenolone
• 英文别名: 17-hydroxypregnenolone-21,21,21-d₃；17alpha-Hydroxy pregnenolone-d3；2,2,2-trideuterio-1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
• CAS: 105078-92-0
• 化学式: C₂₁H₃₂O₃
• 分子量: 335.459
• InChiKey: JERGUCIJOXJXHF-DBAXYKBZSA-N

物化性质

• 熔点：
  264-267?C
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-碘丙氧基)-4-甲氧基苯 在 羟胺 作用下， 以 水 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Disturbance in sex-steroid serum profiles of cattle in response to exogenous estradiol: A screening approach to detect forbidden treatments

  摘要：

  Estradiol benzoate (EB) has been one of the most widely used estrogenic agents in animal husbandry, as a way of exogenously introducing the natural hormone estradiol-17 beta into the animal organism. Estradiol was previously employed to induce anabolic effects or reproductive improvements in cattle. However, the employment of EB in European countries has been permanently forbidden by Directive 2008/97/EC to guarantee consumers' health. Despite this prohibition, the control of estradiol-17 beta and its esters continues to be a difficult task for residue-monitoring plans in European Communities because official analyses of natural thresholds for hormones in cattle have not yet been established, leading to a lack of confirmation for any exogenous administration of natural hormones. Several researchers have worked on excretion profiles of metabolites, variation in specific hormonal ratios and metabolomic fingerprints after hormonal treatments. This research focuses on the possible existence of disturbances in the serum profile of animals treated with EB in terms of steroid sex hormones (androgens, oestrogens and progestogens), by investigating the serum levels of several of these hormones. The serum samples were collected from three groups of cows: one treated with an intramuscular injection of EB, one treated with a combination of intravaginal EB and progesterone and a control (non-treated) group. The samples have been analysed by a validated high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) method, and 17 natural hormones were identified and quantified. Subsequently, data from the serum profiles were submitted for statistic and multivariate analysis, and it was possible to observe a manifest variation between animal groups. The obtained results can help in the development of a viable screening tool for monitoring purposes in cattle. (C) 2010 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2010.12.005
• 作为产物：
  描述：

  17Alpha-羟基妊娠烯醇酮 在 氘氧化钾 、 氘代甲醇-d 、 重水 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 生成 1-(3-碘丙氧基)-4-甲氧基苯
  参考文献：
  名称：

  Akhtar, Muhammad; Corina, David L.; Miller, Sharon L., Journal of the Chemical Society. Perkin transactions I, 1994, # 3, p. 263 - 268

  摘要：

  DOI：

文献信息

• Disturbance in sex-steroid serum profiles of cattle in response to exogenous estradiol: A screening approach to detect forbidden treatments
  作者：Patricia Regal、Carolina Nebot、Mónica Díaz-Bao、Rocio Barreiro、Alberto Cepeda、Cristina Fente

  DOI：10.1016/j.steroids.2010.12.005

  日期：2011.3

  Estradiol benzoate (EB) has been one of the most widely used estrogenic agents in animal husbandry, as a way of exogenously introducing the natural hormone estradiol-17 beta into the animal organism. Estradiol was previously employed to induce anabolic effects or reproductive improvements in cattle. However, the employment of EB in European countries has been permanently forbidden by Directive 2008/97/EC to guarantee consumers' health. Despite this prohibition, the control of estradiol-17 beta and its esters continues to be a difficult task for residue-monitoring plans in European Communities because official analyses of natural thresholds for hormones in cattle have not yet been established, leading to a lack of confirmation for any exogenous administration of natural hormones. Several researchers have worked on excretion profiles of metabolites, variation in specific hormonal ratios and metabolomic fingerprints after hormonal treatments. This research focuses on the possible existence of disturbances in the serum profile of animals treated with EB in terms of steroid sex hormones (androgens, oestrogens and progestogens), by investigating the serum levels of several of these hormones. The serum samples were collected from three groups of cows: one treated with an intramuscular injection of EB, one treated with a combination of intravaginal EB and progesterone and a control (non-treated) group. The samples have been analysed by a validated high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) method, and 17 natural hormones were identified and quantified. Subsequently, data from the serum profiles were submitted for statistic and multivariate analysis, and it was possible to observe a manifest variation between animal groups. The obtained results can help in the development of a viable screening tool for monitoring purposes in cattle. (C) 2010 Elsevier Inc. All rights reserved.
• Akhtar, Muhammad; Corina, David L.; Miller, Sharon L., Journal of the Chemical Society. Perkin transactions I, 1994, # 3, p. 263 - 268
  作者：Akhtar, Muhammad、Corina, David L.、Miller, Sharon L.、Shyadehi, Akbar Z.、Wright, J. Neville

  DOI：——

  日期：——