LI7K2MH2IJ | 571170-95-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: LI7K2MH2IJ
• 英文别名: 2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-1-oxo-2,3-dihydrocyclopenta[b]indol-3-yl]acetic acid
• CAS: 571170-95-1
• 化学式: C₂₁H₁₇ClFNO₅S
• 分子量: 449.887
• InChiKey: LXXDCYUAFJJSGQ-GFCCVEGCSA-N

物化性质

• 沸点：
  737.9±60.0 °C(Predicted)
• 密度：
  1.54±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以50%的产率得到LI7K2MH2IJ
  参考文献：
  名称：

  In vitro biotransformations of the prostaglandin D2 (DP) antagonist MK-0524 and synthesis of metabolites

  摘要：

  Metabolites of the potent DP antagonist, MK-0524, were generated using in vitro systems including hepatic microsomes and hepatocytes. Four metabolites (two hydroxylated diastereomers, a ketone and an acyl glucuronide) were characterized by LC-MS/MS and H-1 NMR. Larger quantities of these metabolites were prepared by either organic synthesis or biosynthetically to be used as standards in other studies. The propensity for covalent binding was assessed and was found to be acceptable (< 50 pmol-equiv/mg protein). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.055

文献信息

• Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment
  申请人：Raghavan Subharekha

  公开号：US20090062269A1

  公开（公告）日：2009-03-05

  The present invention encompasses compounds of Formula I: as well as pharmaceutically acceptable salts and hydrates thereof, that are useful for treating atherosclerosis, dyslipidemias and the like. Pharmaceutical compositions and methods of use are also included.

  本发明涵盖了Formula I的化合物，以及其药用盐和水合物，可用于治疗动脉粥样硬化、血脂异常等疾病。药物组合物和使用方法也包括在内。
• Method of Treating Pathological Blushing
  申请人：Tobert A. Jonathan

  公开号：US20070299122A1

  公开（公告）日：2007-12-27

  A method of treating pathological blushing is disclosed wherein the patient is administered a DP receptor antagonist. Compositions containing DP antagonists are also included.

  揭示了一种治疗病理性面红的方法，其中患者接受DP受体拮抗剂。还包括含有DP拮抗剂的组合物。
• FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT
  申请人：Berthelette Carl

  公开号：US20120115921A1

  公开（公告）日：2012-05-10

  Fluoro substituted cycloalkanoindole derivatives are antagonists of prostaglandins, and as such are useful for the treatment of prostaglandin mediated diseases.

  含氟取代的环烷基吲哚衍生物是前列腺素拮抗剂，因此对于治疗前列腺素介导的疾病非常有用。
• Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof
  申请人：Boatman Douglas P.

  公开号：US20070073062A1

  公开（公告）日：2007-03-29

  The present invention relates to certain fused pyrazole derivatives of Formula (Ia), and pharmaceutically acceptable salts thereof, which exhibit useful pharmacological properties, for example, as agonists for the RUP25 receptor. Also provided by the present invention are pharmaceutical compositions containing compounds of the invention, and methods of using the compounds and compositions of the invention in the treatment of metabolic-related disorders, including dyslipidemia, atherosclerosis, coronary heart disease, insulin resistance, type 2 diabetes, Syndrome-X and the like. In addition, the present invention also provides for the use of the compounds of the invention in combination with other active agents such as those belonging to the class of α-glucosidase inhibitors, aldose reductase inhibitors, biguanides, HMG-CoA reductase inhibitors, squalene synthesis inhibitors, fibrates, LDL catabolism enhancers, angiotensin converting enzyme (ACE) inhibitors, insulin secretion enhancers, DP receptor antagonists, and the like.

  本发明涉及公式（Ia）的某些融合吡唑衍生物及其药学上可接受的盐，其表现出有用的药理特性，例如作为RUP25受体的激动剂。本发明还提供了包含本发明化合物的药物组合物，以及使用本发明化合物和组合物治疗代谢相关疾病的方法，包括血脂异常、动脉粥样硬化、冠心病、胰岛素抵抗、2型糖尿病、X综合症等。此外，本发明还提供了将本发明化合物与其他活性剂（例如属于α-葡萄糖苷酶抑制剂、醛糖还原酶抑制剂、双胍类、HMG-CoA还原酶抑制剂、角鲨烷合成抑制剂、菸酸类、LDL降解增强剂、血管紧张素转化酶（ACE）抑制剂、胰岛素分泌增强剂、DP受体拮抗剂等）组合使用的方法。
• Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment
  申请人：Berthelette Carl

  公开号：US20080033028A1

  公开（公告）日：2008-02-07

  Fluoro substituted cycloalkanoindole derivatives are antagonists of prostaglandins, and as such are useful for the treatment of prostaglandin mediated diseases.

  氟代环烷基吲哚衍生物是前列腺素拮抗剂，因此对于治疗前列腺素介导的疾病非常有用。