2-(1-(3-(4-(benzo[d]thiazol-2-ylamino)phenoxy)pyrazin-2-yl)piperidin-4-yl)-1,1,1-trifluoropropan-2-ol | 1227065-95-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(1-(3-(4-(benzo[d]thiazol-2-ylamino)phenoxy)pyrazin-2-yl)piperidin-4-yl)-1,1,1-trifluoropropan-2-ol
• 英文别名: 2-[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
• CAS: 1227065-95-3
• 化学式: C₂₅H₂₄F₃N₅O₂S
• 分子量: 515.559
• InChiKey: DXWVYUAWMGHOEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2-氯苯并噻唑 在 caesium carbonate 作用下， 以 N-甲基吡咯烷酮 、 二甲基亚砜 为溶剂， 生成 2-(1-(3-(4-(benzo[d]thiazol-2-ylamino)phenoxy)pyrazin-2-yl)piperidin-4-yl)-1,1,1-trifluoropropan-2-ol
  参考文献：
  名称：

  Discovery of selective biaryl ethers as PDE10A inhibitors: Improvement in potency and mitigation of Pgp-mediated efflux

  摘要：

  We report the discovery of a novel series of biaryl ethers as potent and selective PDE10A inhibitors. Structure-activity studies improved the potency and decreased Pgp-mediated efflux found in the initial compound 4. X-ray crystallographic studies revealed two novel binding modes to the catalytic site of the PDE10A enzyme. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.078

文献信息

• PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS
  申请人：Allen Jennifer R.

  公开号：US20110160182A1

  公开（公告）日：2011-06-30

  Pyrazine compounds, and compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, and the like.

  本发明提供了吡嗪化合物、含有它们的组合物以及制备这些化合物的方法。本发明还提供了治疗通过抑制PDE10可治疗的疾病或疾病的方法，例如肥胖症、非胰岛素依赖性糖尿病、精神分裂症、双相障碍、强迫症等。
• US8053438B2
  申请人：——

  公开号：US8053438B2

  公开（公告）日：2011-11-08
• US8247418B2
  申请人：——

  公开号：US8247418B2

  公开（公告）日：2012-08-21
• US8329700B2
  申请人：——

  公开号：US8329700B2

  公开（公告）日：2012-12-11
• Discovery of selective biaryl ethers as PDE10A inhibitors: Improvement in potency and mitigation of Pgp-mediated efflux
  作者：Robert M. Rzasa、Essa Hu、Shannon Rumfelt、Ning Chen、Kristin L. Andrews、Samer Chmait、James R. Falsey、Wenge Zhong、Adrie D. Jones、Amy Porter、Steven W. Louie、Xiaoning Zhao、James J.S. Treanor、Jennifer R. Allen

  DOI：10.1016/j.bmcl.2012.10.078

  日期：2012.12

  We report the discovery of a novel series of biaryl ethers as potent and selective PDE10A inhibitors. Structure-activity studies improved the potency and decreased Pgp-mediated efflux found in the initial compound 4. X-ray crystallographic studies revealed two novel binding modes to the catalytic site of the PDE10A enzyme. (C) 2012 Elsevier Ltd. All rights reserved.