化合物 T27661 | 400797-24-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 化合物 T27661
• 英文名称: JNJ-10329670
• 英文别名: 5-Chloro-3-(1-{3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propyl}-piperidin-4-yl)-1-methyl-1,3-dihydro-benzoimidazol-2-one；1H-Pyrazolo(4,3-C)pyridine, 1-(3-(4-(6-chloro-2,3-dihydro-3-methyl-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl)propyl)-4,5,6,7-tetrahydro-5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-；5-chloro-1-methyl-3-[1-[3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]benzimidazol-2-one
• CAS: 400797-24-2
• 化学式: C₃₀H₃₄ClF₃N₆O₃S
• 分子量: 651.153
• InChiKey: NVAHQQYCEWEDKM-UHFFFAOYSA-N

物化性质

• 沸点：
  752.0±70.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  44
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  90.4
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  吗丁啉杂质12 在 sodium hydroxide 、 双(三甲基硅烷基)氨基钾 、 三乙酰氧基硼氢化钠 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 生成 化合物 T27661
  参考文献：
  名称：

  Discovery and SAR studies of a novel series of noncovalent cathepsin S inhibitors

  摘要：

  A novel series of competitive, reversible cathepsin S (Cats) inhibitors was discovered and optimized. The 4-(2-keto-1-benzimidazolinyl)-piperidin-1-yl moiety was found to be an effective replacement for the 4-arylpiperazin-1-yl group found in our earlier series of Cats inhibitors. This replacement imparted improved PK properties as well as decreased off-target activity. Optimization of the ketobenzimidazole moiety led to the discovery of the lead compound JNJ 10329670, which represents a novel class of selective, noncovalent, reversible, and orally bioavailable inhibitors of cathepsin S. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.045

文献信息

• Method for treating allergies using substituted pyrazoles
  申请人：Butler R. Christopher

  公开号：US20050101587A9

  公开（公告）日：2005-05-12

  A method for treating an allergic condition, including an atopic allergic condition, using substituted pyrazoles.

  使用取代吡唑烷治疗过敏症状的方法，包括特应性过敏症状。
• Substituted pyrazoles
  申请人：Butler R. Christopher

  公开号：US20050245576A1

  公开（公告）日：2005-11-03

  Substituted pyrazoles, methods of manufacturing them, compositions containing them, and methods of using them to treat, for example, autoimmune diseases mediated by cathepsin S are described.

  本文描述了替代吡唑的制备方法、含有它们的组合物以及使用它们治疗由cathepsin S介导的自身免疫性疾病的方法。
• Substituted pyrazoles and methods of treatment with substituted pyrazoles
  申请人：Butler R. Christopher

  公开号：US20070117785A1

  公开（公告）日：2007-05-24

  Substituted pyrazoles, methods of manufacturing them, compositions containing them, and methods of using them to treat, for example, autoimmune diseases or allergic conditions, including atopic allergic conditions, mediated by cathepsin S are described.

  本文描述了替代吡唑的制造方法、含有它们的组合物以及使用它们治疗自身免疫性疾病或过敏症的方法，包括由cathepsin S介导的过敏症，例如特应性过敏症。
• CD74 modulator agent for regulating dendritic cell migration and device for studying the motility capacity of a cell
  申请人：Institut Curie

  公开号：EP2198879A1

  公开（公告）日：2010-06-23

  The present invention relates to a method for regulating the dendritic cell motility and/or migration in vivo using a CD74 modulator agent. It also concerns a device for determining or studying the motility capacity of a cell and the use thereof. The CD74 modulator agent is of use in the treatment of auto-immune diseases, cancers, inflammatory diseases or viral infections.

  本发明涉及一种使用 CD74 调节剂调节树突状细胞在体内的运动和/或迁移的方法。本发明还涉及一种确定或研究细胞运动能力的装置及其用途。 CD74 调节剂可用于治疗自身免疫性疾病、癌症、炎症性疾病或病毒感染。
• Prevention and treatment of itch with an MRGPR antagonist
  申请人：THE GENERAL HOSPITAL CORPORATION

  公开号：US10426815B2

  公开（公告）日：2019-10-01

  Embodiments described herein relates to compositions and methods of preventing and/or treating itch in a subject using a therapeutically effective amount of a MRG receptor antagonist. e.g., a tripeptide QWF. In one embodiment, the itch is a non-histamine mediated itch.

  本文所述的实施方案涉及使用治疗有效量的MRG受体拮抗剂（如三肽QWF）预防和/或治疗受试者瘙痒的组合物和方法。在一个实施方案中，痒是非组胺介导的痒。