(5Z,8beta,11alpha,13E)-11-羟基-9,15-二氧代前列腺-5,13-二烯-1-酸 | 914804-63-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: (5Z,8beta,11alpha,13E)-11-羟基-9,15-二氧代前列腺-5,13-二烯-1-酸
• 英文名称: 8-iso-15-keto-PGE2
• 英文别名: (Z)-7-[(1S,2R,3R)-3-hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoic acid
• CAS: 914804-63-0
• 化学式: C₂₀H₃₀O₅
• 分子量: 350.4
• InChiKey: YRTJDWROBKPZNV-RSNVZYGJSA-N

物化性质

• 沸点：
  534.4±50.0 °C(Predicted)
• 密度：
  1.144±0.06 g/cm3(Predicted)
• 溶解度：
  DMF：33 mg/ml； DMSO：20 mg/ml；乙醇：33 mg/ml； PBS（pH 7.2）：1.4 mg/ml

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• PROSTAGLANDIN ANALOGS AND USES THEREOF
  申请人：Lifex Biolabs, Inc.

  公开号：US20210139435A1

  公开（公告）日：2021-05-13

  The present invention relates to pharmaceutical composition for the prevention or treatment of a disease, disorder, or condition associated with Nurr1, including, as an active ingredient, a prostaglandin analog or a pharmaceutically acceptable salt thereof, wherein the compound has excellent effects in inducing Nurr1, and thus, can be useful as a pharmaceutical composition for the prevention or treatment of a disease, disorder, or condition associated with Nurr1, in particular, cancer, autoimmune disease such as rheumatoid arthritis, schizophrenia, manic depression and neurodegenerative disease such as Alzheimers disease or Parkinson's disease.

  本发明涉及一种药物组合物，用于预防或治疗与Nurr1相关的疾病、紊乱或状况，其中包括作为活性成分的前列腺素类似物或其药学上可接受的盐，该化合物具有良好的诱导Nurr1的效果，因此，可用作预防或治疗与Nurr1相关的疾病、紊乱或状况的药物组合物，特别是癌症、自身免疫性疾病如类风湿关节炎、精神分裂症、躁郁症以及神经退行性疾病如阿尔茨海默病或帕金森病。
• METABOLIC BIOMARKERS FOR OVARIAN CANCER AND METHODS OF USE THEREOF
  申请人：Georgia Tech Research Corporation

  公开号：EP2279417A1

  公开（公告）日：2011-02-02
• [EN] METABOLIC BIOMARKERS FOR OVARIAN CANCER AND METHODS OF USE THEREOF<br/>[FR] BIOMARQUEURS MÉTABOLIQUES POUR LE CANCER DES OVAIRES ET PROCÉDÉS POUR LEUR UTILISATION
  申请人：GEORGIA TECH RES INST

  公开号：WO2009151967A1

  公开（公告）日：2009-12-17

  Panels of serum metabolic biomarkers and methods of their use in detecting and diagnosing cancer, especially ovarian cancer, are disclosed. The metabolic biomarker panels include 2, 3, 4, 5, 6, 7, 8, 9, 10, 15, 20, 25, 50, 75, 100, 150, or more metabolites. Supervised classification methods, such as trained support vector machines (SVMs) are used to determine whether the levels of metabolic biomarkers in a subject are indicative of the presence of cancer. The disclosed biomarkers and methods preferably allow a diagnosis of cancer with an accuracy, a specificity, and/or a sensitivity of at least 80%, 85%, 90%, 95%, 96%, 97%, 98% or 99%.