2-hydroxyestrone 3-sulfate | 21343-47-5

• 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: 2-hydroxyestrone 3-sulfate
• 英文别名: [(8R,9S,13S,14S)-2-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
• CAS: 21343-47-5
• 化学式: C₁₈H₂₂O₆S
• 分子量: 366.435
• InChiKey: DTMWSKSAMRZGQH-JPVZDGGYSA-N

物化性质

• 密度：
  1.419±0.06 g/cm3(Predicted)

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：

  2-羟基雌酚酮 在 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 、 1,4-二巯基-2,3-丁二醇 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 生成 2-hydroxyestrone 2-sulfate 、 2-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

• Genomic instability markers in Fanconi anemia
  申请人：Children's Hospital Medical Center

  公开号：US10857211B2

  公开（公告）日：2020-12-08

  Markers for genomic instability in Fanconi Anemia (FA) and other pathologies for therapeutic and diagnostic uses. In one embodiment, glycosphingolipid metabolism is altered in the FA deficient squamous cell carcinoma (SCC) cells, based on analysis of a metabolomics/lipidomics platform. The data indicated ganglioside metabolism was important in FA patients' susceptibility to SCC progression.

  用于治疗和诊断的范可尼贫血症（FA）和其他病症基因组不稳定性的标记物。在一个实施方案中，根据代谢组学/脂质组学平台的分析，FA 缺陷鳞状细胞癌（SCC）细胞中的糖磷脂代谢发生了改变。数据表明，神经节苷脂代谢在 FA 患者易患 SCC 的过程中起着重要作用。
• PHARMACEUTICAL COMPOSITIONS OF CONJUGATED ESTROGENS AND METHODS OF ANALYZING MIXTURES CONTAINING ESTROGENIC COMPOUNDS
  申请人：Endeavor Pharmaceuticals

  公开号：EP1267852A2

  公开（公告）日：2003-01-02
• Hormone Replacement Therapy
  申请人：Zhu Bao Ting

  公开号：US20080293683A1

  公开（公告）日：2008-11-27

  A hormone replacement therapy formulation and method comprising selective estrogenic compounds which preferentially stimulate the estrogen receptor alpha over the estrogen receptor beta.
• GENOMIC INSTABILITY MARKERS IN FANCONI ANEMIA
  申请人：Children's Hospital Medical Center

  公开号：US20170100462A1

  公开（公告）日：2017-04-13

  Markers for genomic instability in Fanconi Anemia (FA) and other pathologies for therapeutic and diagnostic uses. In one embodiment, glycosphingolipid metabolism is altered in the FA deficient squamous cell carcinoma (SCC) cells, based on analysis of a metabolomics/lipidomics platform. The data indicated ganglioside metabolism was important in FA patients' susceptibility to SCC progression.
• 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.