(S)-{9-[(3,4-dichlorophenyl)thio]-1-isopropyl-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-8-yl}acetic acid | 794535-46-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (S)-{9-[(3,4-dichlorophenyl)thio]-1-isopropyl-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-8-yl}acetic acid
• 英文别名: (S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-8-yl)acetic acid；2-[(6S)-5-(3,4-dichlorophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid
• CAS: 794535-46-9
• 化学式: C₂₁H₂₀Cl₂N₂O₂S
• 分子量: 435.374
• InChiKey: LUZBJNWFEDHIPR-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  80.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl (S)-2-(9-((3,4-dichlorophenyl)thio)-1-isopropyl-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-8-yl)acetate 在 sodium hydroxide 、 水 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (S)-{9-[(3,4-dichlorophenyl)thio]-1-isopropyl-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-8-yl}acetic acid
  参考文献：
  名称：

  Discovery of potent and selective DP1 receptor antagonists in the azaindole series

  摘要：

  Azaindole based structures were evaluated as DP1 receptor antagonists. This work has lead to the discovery of potent, selective and distinct DP1 receptor antagonists. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.010

文献信息

• FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF
  申请人：Boatman P. Douglas

  公开号：US20090258892A1

  公开（公告）日：2009-10-15

  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，其具有有用的药理特性，例如作为RUP25受体激动剂。本发明还提供了包含该化合物的制药组合物，并且提供了使用该化合物和组合物治疗代谢相关疾病的方法，包括脂质代谢异常、动脉硬化、冠心病、胰岛素抵抗、2型糖尿病、X综合症等。此外，本发明还提供了将该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、纤维酸类、LDL降解增强剂、血管紧张素转换酶（ACE）抑制剂、胰岛素分泌增强剂、DP受体拮抗剂等类别）组合使用的用途。
• US7618979B2
  申请人：——

  公开号：US7618979B2

  公开（公告）日：2009-11-17
• US9889082B2
  申请人：——

  公开号：US9889082B2

  公开（公告）日：2018-02-13
• [EN] NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT<br/>[FR] AGONISTES DU RÉCEPTEUR DE LA NIACINE, COMPOSITIONS CONTENANT DE TELS COMPOSÉS ET PROCÉDÉS DE TRAITEMENT
  申请人：MERCK & CO INC

  公开号：WO2007002557A1

  公开（公告）日：2007-01-04

  [EN] 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.
  [FR] La présente invention concerne des composés de formule (I) : de même que leurs sels ou leurs hydrates pharmaceutiquement acceptables, utilisables dans le traitement de l'athérosclérose, de la dyslipidémie et de maladies similaires. L'invention concerne également des compositions pharmaceutiques et des procédés d'utilisation.
• Discovery of potent and selective DP1 receptor antagonists in the azaindole series
  作者：Yves Leblanc、Patrick Roy、Claude Dufresne、Nicolas Lachance、Zhaoyin Wang、Gary O’Neill、Gillian Greig、Danielle Denis、Marie-Claude Mathieu、Deborah Slipetz、Nicole Sawyer、Nancy Tsou

  DOI：10.1016/j.bmcl.2009.03.010

  日期：2009.4

  Azaindole based structures were evaluated as DP1 receptor antagonists. This work has lead to the discovery of potent, selective and distinct DP1 receptor antagonists. (C) 2009 Elsevier Ltd. All rights reserved.