5alpha-Androstane-3alpha,17beta-diol disulfate | 21152-49-8

• 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: 5alpha-Androstane-3alpha,17beta-diol disulfate
• 英文别名: [(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate
• CAS: 21152-49-8
• 化学式: C₁₉H₃₂O₈S₂
• 分子量: 452.6
• InChiKey: JHFAETDERBWUOO-KHOSGYARSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment
  申请人：Metabolon, Inc.

  公开号：US10267777B2

  公开（公告）日：2019-04-23

  Methods are described herein for small molecule biochemical profiling of an individual subject for diagnosis of a disease or disorder, facilitating diagnosis of a disease or disorder, and/or identifying an increased risk of developing a disease or disorder in the individual subject. Aberrant levels of small molecules present in a sample from an individual subject are identified and diagnostic information relevant to the individual subject is obtained based on the identified aberrant levels. The obtained diagnostic information includes one or more of an identification of at least one biochemical pathway associated with the identified subset of the small molecules having aberrant levels, an identification at least one disease or disorder associated with the identified subset of the small molecules having aberrant levels, and an identification of at least one recommended follow up test associated with the identified subset of the small molecules having aberrant levels.

  本文描述了对个体受试者进行小分子生化分析的方法，以诊断疾病或失调，促进疾病或失调的诊断，和/或确定个体受试者罹患疾病或失调的风险增加。确定个体受试者样本中存在的小分子的异常水平，并根据确定的异常水平获得与个体受试者相关的诊断信息。所获得的诊断信息包括：至少一个生化途径的鉴定，该生化途径与所鉴定的具有异常水平的小分子子集相关；至少一种疾病或紊乱的鉴定，该疾病或紊乱与所鉴定的具有异常水平的小分子子集相关；至少一种推荐的后续检测的鉴定，该检测与所鉴定的具有异常水平的小分子子集相关。
• METHODS AND USES FOR METABOLIC PROFILING FOR CLOSTRIDIUM DIFFICILE INFECTION
  申请人：The Board of Regents of The University of Texas System

  公开号：EP2776829A1

  公开（公告）日：2014-09-17
• SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT
  申请人：Metabolon, Inc.

  公开号：EP3129909A1

  公开（公告）日：2017-02-15
• Biomarkers for Amyotrophic Lateral Sclerosis and Methods Using the Same
  申请人：METABOLON, INC.

  公开号：US20140303228A1

  公开（公告）日：2014-10-09

  The disclosure provides biomarkers of amyotrophic lateral sclerosis (ALS). The disclosure also provides various methods of using the biomarkers, including methods for diagnosis of ALS, methods of determining predisposition to ALS, methods of monitoring progression/regression of ALS, methods of assessing efficacy of compositions for treating ALS, methods of screening compositions for activity in modulating biomarkers of ALS, methods of treating ALS, as well as other methods based on biomarkers of ALS.
• Metabolite Biomarkers Predictive Of Renal Disease In Diabetic Patients
  申请人：Joslin Diabetes Center

  公开号：US20180003721A1

  公开（公告）日：2018-01-04

  The present invention relates to biomarkers that are predictive of renal disease in patients who have diabetes. The present invention also provides methods of using such biomarkers to predict the risk that a diabetic patient will develop renal disease, and/or to identify a patient who has diabetes as being in need of a therapy to prevent or delay the onset of a renal disease.