4-hydroxyestrone 3-sulfate | 82803-17-6

• 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
• 英文名称: 4-hydroxyestrone 3-sulfate
• 英文别名: [(8R,9S,13S,14S)-4-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
• CAS: 82803-17-6
• 化学式: C₁₈H₂₂O₆S
• 分子量: 366.435
• InChiKey: QIJNCQNMZUTUIF-QDTBLXIISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-羟雌甾酮 在 1,4-dithio-erythritol 、 guinea pig liver homogenate 、 6-氨基-9-[3-羟基-5-[(羟基-磺基氧基-磷酰)氧基甲基]-4-膦酰氧基-四氢呋喃-2-基]-嘌呤 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 生成 4-OH estrone sulfate 、 4-hydroxyestrone 3-sulfate
  参考文献：
  名称：

  Studies on high-performance liquid chromatography with electrochemical detection. The pH-dependency of enzymic sulfation of catechol estrogens.

  摘要：

  通过高效液相色谱和电化学检测，研究了豚鼠和大鼠肝匀浆中儿茶酚雌激素的体外硫酸化。当在中性培养基（pH 7.4）中与用3'-磷酸腺苷-5'-磷酸硫酸盐强化的肝脏105000 g上清液一起孵育时，2-羟基雌酮和4-羟基雌酮主要分别转化为2-和4-硫酸盐。随着培养介质的pH值降低，形成3-硫酸盐，并且获得减少量的2-和4-硫酸盐。还用儿茶酚雌激素检查了 pH 对定向葡萄糖醛酸化的影响。所形成的异构环A葡萄糖苷酸的产物比例不受培养介质pH的影响。

  DOI：

  10.1248/cpb.33.685

文献信息

• METHODS AND ASSAYS FOR USE IN DIAGNOSIS OF LAMINITIS
  申请人：Pepsis Limited

  公开号：EP3773919A1

  公开（公告）日：2021-02-17
• METABOLIC PROFILING WITH MAGNETIC RESONANCE MASS SPECTROMETRY (MRMS)
  申请人：Oregon Institute of Science and Medicine

  公开号：US20190391092A1

  公开（公告）日：2019-12-26

  A method for constructing a metabolic profile of a mammalian (such as a human) subject from one of more urine samples from the subject uses magnetic resonance mass spectrometry (MRMS) for the rapid and inexpensive quantitative measurement of at least 4,000 urinary chemical substances in a single analysis. The method for metabolic profiling measures thousands of urinary substances in a urine sample from a mammalian subject in a single assay. Many of these substances can be of mammalian metabolic origin. The measurements of types and amounts of urinary substances can be correlated to assessments of present or future health of the subject.
• [EN] METHODS AND ASSAYS FOR USE IN DIAGNOSIS OF LAMINITIS<br/>[FR] PROCÉDÉS ET DOSAGES POUR UTILISATION DANS LE DIAGNOSTIC DE LA FOURBURE AIGUË
  申请人：PEPSIS LTD

  公开号：WO2019186141A1

  公开（公告）日：2019-10-03

  The invention concerns a method and assay for qualifying equine laminitis disease status in a subject by measuring specific biomarkers, comparing the level of said biomarker to a control level; and correlating the measurement with laminitis disease status, wherein a statistically relevant elevated level of said biomarker is present in said sample relative to said control level.The invention further relates to immuno-based methods and assays for detecting toxins relevant to laminitis and to the use of antibodies for assay and diagnostic purposes.
• Studies on high-performance liquid chromatography with electrochemical detection. The pH-dependency of enzymic sulfation of catechol estrogens.
  作者：KAZUTAKE SHIMADA、MASAMI HARA、TOSHIO NAMBARA

  DOI：10.1248/cpb.33.685

  日期：——

  In vitro sulfation of catechol estrogens with guinea pig and rat liver homogenates has been investigated by means of high-performance liquid chromatography with electrochemical detection. When incubated in a neutral medium (pH 7.4) with the liver 105000 g supernatant fortified with 3'-phosphoadenosine-5'-phosphosulfate, 2-hydroxyestrone and 4-hydroxyestrone were transformed principally into the 2- and 4-sulfates, respectively. The 3-sulfate was formed, and decreasing amounts of the 2- and 4-sulfates were obtained, as the pH of the incubation medium was decreased. The pH effect on directive glucuronidation was also examined with catechol estrogens. The product ratio of the isomeric ring A glucuronides formed was not affected by the pH of the incubation medium.

  通过高效液相色谱和电化学检测，研究了豚鼠和大鼠肝匀浆中儿茶酚雌激素的体外硫酸化。当在中性培养基（pH 7.4）中与用3'-磷酸腺苷-5'-磷酸硫酸盐强化的肝脏105000 g上清液一起孵育时，2-羟基雌酮和4-羟基雌酮主要分别转化为2-和4-硫酸盐。随着培养介质的pH值降低，形成3-硫酸盐，并且获得减少量的2-和4-硫酸盐。还用儿茶酚雌激素检查了 pH 对定向葡萄糖醛酸化的影响。所形成的异构环A葡萄糖苷酸的产物比例不受培养介质pH的影响。