2-methyl-1-(5-(trifluoromethyl)pyridin-2-yl)propan-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-methyl-1-(5-(trifluoromethyl)pyridin-2-yl)propan-1-one
• 英文别名: 2-Methyl-1-(5-(trifluoromethyl)pyridin-2-YL)propan-1-one；2-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]propan-1-one
• 化学式: C₁₀H₁₀F₃NO
• 分子量: 217.191
• InChiKey: UNTXWDULKODMPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-methyl-1-(5-(trifluoromethyl)pyridin-2-yl)propan-1-one 在 sodium tetrahydroborate 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 8.67h， 生成 methyl 3,3-dimethyl-2-(5-(trifluoromethyl)pyridin-2-yl)indoline-7-carboxylate
  参考文献：
  名称：

  [EN] ISOINDOLINES AS HDAC INHIBITORS
  [FR] ISOINDOLINES UTILISÉES COMME INHIBITEURS DE HDAC

  摘要：

  本公开涉及抑制锌依赖性组蛋白去乙酰化酶（HDACs）的抑制剂，其化学式如下：（I）其中Z、X1、X2、Y1、Y2、Y3、L、Z和R如本文所述。

  公开号：

  WO2019204550A1
• 作为产物：
  描述：

  5-三氟甲基吡啶-2-羧酸 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 为溶剂， 反应 18.0h， 生成 2-methyl-1-(5-(trifluoromethyl)pyridin-2-yl)propan-1-one
  参考文献：
  名称：

  [EN] SUBSTITUTED TRIAZOLO BICYCLICCOMPOUNDS AS PDE2 INHIBITORS
  [FR] BICYCLO-COMPOSÉS DE TRIAZOLE SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE PDE2

  摘要：

  本发明涉及一种用于治疗与磷酸二酯酶2（PDE2）相关的中枢神经系统疾病的式（I）的取代三唑杂双环化合物，该化合物可用作治疗神经系统和精神疾病，如精神分裂症、精神病、帕金森病、帕金森病痴呆（PDD）或亨廷顿病，以及与纹状体功能不足或基底神经节功能障碍相关的化合物的用途。

  公开号：

  WO2017000277A1

文献信息

• Substituted triazolo bicyclic compounds as PDE2 inhibitors
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US10357481B2

  公开（公告）日：2019-07-23

  The present invention is directed to substituted triazolo bicyclic compounds of formula I which are useful as therapeutic agents for the treatment of central nervous system disorders associated with phosphodiesterase 2 (PDE2). The present invention also relates to the use of such compounds for treating neurological and psychiatric disorders, such as schizophrenia, psychosis, Parkinson's disease, Parkinson's disease dementia (PDD), or Huntington's disease, and those associated with striatal hypofunction or basal ganglia dysfunction.

  本发明涉及式 I 的取代三唑并双环化合物，其可作为治疗剂用于治疗与磷酸二酯酶 2 (PDE2)相关的中枢神经系统疾病。本发明还涉及使用此类化合物治疗神经和精神疾病，如精神分裂症、精神病、帕金森病、帕金森病痴呆（PDD）或亨廷顿病，以及与纹状体功能低下或基底节功能障碍相关的疾病。
• Isoindolines as HDAC inhibitors
  申请人：Valo Health, Inc.

  公开号：US11535607B2

  公开（公告）日：2022-12-27

  The present disclosure relates to inhibitors of zinc-dependent histone deacetylases (HDACs), having the formula: (I) wherein Z, X 1 , X 2 , Y 1 , Y 2 , Y 3 , L, Z, and R are described herein.

  本公开涉及锌依赖性组蛋白去乙酰化酶（HDACs）的抑制剂，其具有式：(I) 其中 Z、X 1 , X 2 , Y 1 , Y 2 , Y 3 、L、Z 和 R 的描述。
• SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS
  申请人：MORRIELLO Gregori J.

  公开号：US20180169072A1

  公开（公告）日：2018-06-21

  The present invention is directed to substituted triazolo bicyclic compounds of formula I which are useful as therapeutic agents for the treatment of central nervous system disorders associated with phosphodiesterase 2 (PDE2). The present invention also relates to the use of such compounds for treating neurological and psychiatric disorders, such as schizophrenia, psychosis, Parkinson's disease, Parkinson's disease dementia (PDD), or Huntington's disease, and those associated with striatal hypofunction or basal ganglia dysfunction.
• ISOINDOLINES AS HDAC INHIBITORS
  申请人：VALO EARLY DISCOVERY, INC.

  公开号：US20210253555A1

  公开（公告）日：2021-08-19

  The present disclosure relates to inhibitors of zinc-dependent histone deacetylases (HDACs), having the formula: (I) wherein Z, X 1 , X 2 , Y 1 , Y 2 , Y 3 , L, Z, and R are described herein.
• [EN] SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS<br/>[FR] COMPOSÉS BICYCLIQUES TRIAZOLO SUBSTITUÉS EN TANT QU'INHIBITEURS DE PDE2
  申请人：MERCK SHARP & DOHME

  公开号：WO2017003894A1

  公开（公告）日：2017-01-05

  The present invention is directed to substituted triazolo bicyclic compounds of formula I which are useful as therapeutic agents for the treatment of central nervous system disorders associated with phosphodiesterase 2 (PDE2). The present invention also relates to the use of such compounds for treating neurological and psychiatric disorders, such as schizophrenia, psychosis, Parkinson's disease, Parkinson's disease dementia (PDD), or Huntington's disease, and those associated with striatal hypofunction or basal ganglia dysfunction.