Ethanesulfonic acid,2-[[(3a,5b,7b)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-

• 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: Ethanesulfonic acid,2-[[(3a,5b,7b)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-
• 英文别名: 2-[[(4R)-4-[(3R,5S,7S,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
• 化学式: C₂₆H₄₅NO₆S
• 分子量: 499.7
• InChiKey: BHTRKEVKTKCXOH-AYSJQVDDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  132
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• 2 -Hydroxy-N,N,N-trimethyl-ethanaminiumsalze von 5beta-Cholan-24-säure-Derivaten
  申请人：Diamalt GmbH

  公开号：EP0359058A1

  公开（公告）日：1990-03-21

  2-Hydroxy-N,N,N-trimethylethanaminiumsalze von 5β-Cholan-24-säure-Derivaten, die gekennzeichnet sind durch die allgemeine Formel I worin R₁ und R₂ sowie R₃ und R₄ gemeinsam eine Oxogruppe oder zwei Wasserstoffatome ein Wasserstoffatom und eine Hydroxygruppe bedeuten und X eine C-O-Bindung oder eine Gruppierung der Formel -NH-CH₂-CO- oder -NH-CH₂)₂-SO₂- darstellt, sind pharmakologisch und kosmetisch wirksame Verbin­dungen.

  5β-胆烷-24-酸衍生物的 2-羟基-N,N,N-三甲基乙铵 盐，其特征为通式 I 其中 R₁ 和 R₂ 以及 R₃ 和 R₄ 共同代表一个氧代基团或两个氢原子、一个氢原子和一个羟基，以及 X代表C-O键或式-NH-CH₂-CO-或-NH-CH₂)₂-SO₂-的基团，它们是具有药理和美容活性的化合物。
• Method for normalization in metabolomics analysis methods with endogenous reference metabolites
  申请人：BIOCRATES Life Sciences AG

  公开号：EP2270699A1

  公开（公告）日：2011-01-05

  The present invention relates to the use of endogenous reference metabolites and a method for normalization of intensity data corresponding to amounts and/or concentrations of selected target metabolites in a biological sample of a mammalian subject, wherein said intensity data are obtained by a metabolomics analysis method with one or a plurality of endogenous reference metabolites, comprising carrying out at least one in vitro metabolomics analysis method of said selected target metabolites in said biological sample, simultaneously carrying out in the same sample a quantitative analysis of one or a plurality of endogenous reference metabolites or derivatives thereof, wherein said endogenous reference metabolites are such compounds in the biological sample which are present in the subject at an essentially constant level; and wherein said endogenous reference metabolites or derivatives thereof have a molecular mass less than 1500 Da.

  本发明涉及内源参比代谢物的使用以及对哺乳动物受试者生物样本中选定目标代谢物的量和/或浓度对应的强度数据进行归一化的方法，其中所述强度数据是通过一种或多种内源参比代谢物的代谢组学分析方法获得的、包括对所述生物样本中的所述选定目标代谢物进行至少一种体外代谢组学分析方法，同时对同一样本中的一种或多种内源性参考代谢物或其衍生物进行定量分析，其中所述内源性参考代谢物是生物样本中的化合物，它们以基本恒定的水平存在于受试者体内；所述内源性参考代谢物或其衍生物的分子质量小于 1500 Da。
• COMPOUNDS FOR TREATING X-LINKED ADRENOLEUKODYSTROPHY
  申请人：Fundació Institut de Recerca Biomédica de Bellvitge (IDIBELL)

  公开号：EP3335730A1

  公开（公告）日：2018-06-20

  The invention relates to a compound of formula (I) as described in the invention, or a pharmaceutically acceptable salt, stereoisomer or solvate thereof, or a mixture thereof for use in the prevention and/or treatment of a disease caused by loss of function of ABCD1 gene, a disease caused by accumulation of very long fatty acids in organs and plasma or of a peroxisomal disorder. The invention also relates to combinations comprising (i) a compound of formula (I) and ii) an antioxidant, an activator of mitochondria biogenesis, an antiinflammatory compound, an activator of autophagy, a peroxisomal biogenesis activator or a mixture thereof, and the medical use of said combinations.

  本发明涉及一种式 (I) 的化合物 或其药学上可接受的盐、立体异构体或溶解物，或其混合物，用于预防和/或治疗 ABCD1 基因丧失功能引起的疾病、器官和血浆中超长脂肪酸积累引起的疾病或过氧化物酶体紊乱。本发明还涉及包含(i)式(I)化合物和(ii)抗氧化剂、线粒体生物生成激活剂、抗炎化合物、自噬激活剂、过氧化物酶体生物生成激活剂或其混合物的组合物，以及所述组合物的医学用途。
• URSODEOXYCHOLIC ACID-CONTAINING AGENT FOR TREATING OR PREVENTING PRESBYOPIA
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：EP3900728A1

  公开（公告）日：2021-10-27

  The present disclosure provides an agent for treating or preventing eye diseases such as presbyopia, comprising, as an active ingredient, ursodeoxycholic acid or an amide conjugate of ursodeoxycholic acid, or an ester thereof, or a pharmaceutically acceptable salt thereof.

  本公开提供了一种用于治疗或预防老花眼等眼部疾病的制剂，其活性成分包括熊去氧胆酸或熊去氧胆酸的酰胺共轭物，或其酯类，或其药学上可接受的盐。
• Method of diagnosing and treating asphyxia
  申请人：InfanDx AG

  公开号：US11313866B2

  公开（公告）日：2022-04-26

  A method for in vitro diagnosing asphyxia and disorders related thereto, a method of in vitro estimating duration of hypoxia in a patient subjected to asphyxia, and a method for in vitro monitoring of normoxic, hypoxic and hyperoxic conditions and/or normobaric and hyperbaric oxygen therapy, includes quantitatively detecting in a biological sample of a patient a plurality of asphyxia specific endogenous compounds which are selected from the group consisting of biogenic amines; carnitine-derived compounds; amino acids; bile acids; carboxylic acids; eicosanoids; lipids; precursors of cholesterol, cholesterol metabolites; prostanoids; and sugars.

  一种体外诊断窒息和相关疾病的方法，一种体外估计窒息患者缺氧持续时间的方法，以及一种体外监测常氧、缺氧和高氧条件和/或常压氧和高压氧治疗的方法，包括定量检测患者生物样本中多种窒息特异性内源性化合物，这些化合物选自由生物胺组成的组；氨基酸、胆汁酸、羧酸、二十酸、脂类、胆固醇前体、胆固醇代谢物、前列腺素和糖类。