6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine | 905275-83-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
• 英文别名: 6-(trifluoromethyl)-1H,2H,3H-pyrrolo[3,4-c]pyridine
• CAS: 905275-83-4
• 化学式: C₈H₇F₃N₂
• 分子量: 188.152
• InChiKey: GBWPAHRRBFWCLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-2-(1-甲基-2,2,2-三氟乙氧基)-5-甲基磺酰基苯甲酸 、 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 [5-methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-(6-trifluoromethyl-1,3-dihydro-pyrrolo[3,4-c]pyridin-2-yl)-methanone
  参考文献：
  名称：

  Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors

  摘要：

  Benzoylisoindolines were discovered as a novel structural class of GlyT1 inhibitors. SAR studies and subsequent lead optimization efforts focused primarily on addressing hERG liability and on improving in vivo efficacy resulted in the identification of potent GlyT1 inhibitors displaying excellent selectivity and in vivo PD and PK profiles. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.124
• 作为产物：
  描述：

  6-Trifluoromethyl-2-trityl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine 在 三氟乙酸 作用下， 以 甲醇 、 氯仿 为溶剂， 生成 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
  参考文献：
  名称：

  Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors

  摘要：

  Benzoylisoindolines were discovered as a novel structural class of GlyT1 inhibitors. SAR studies and subsequent lead optimization efforts focused primarily on addressing hERG liability and on improving in vivo efficacy resulted in the identification of potent GlyT1 inhibitors displaying excellent selectivity and in vivo PD and PK profiles. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.124

文献信息

• Heterocyclic-substituted phenyl methanones
  申请人：Jolidon Synese

  公开号：US20060178381A1

  公开（公告）日：2006-08-10

  The present invention relates to compounds of formula I wherein R 1 , R 2 , and are defined in the specification and to pharmaceutically acceptable acid addition salts thereof.

  本发明涉及式I的化合物 其中 R 1 ， R 2 ，并在规范中定义，并且其药学上可接受的酸盐。
• HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES
  申请人：Jolidon Synese

  公开号：US20090203665A1

  公开（公告）日：2009-08-13

  The present invention relates to compounds of formula I wherein R 1 , R 2 , and are defined in the specification and to pharmaceutically acceptable acid addition salts thereof.

  本发明涉及式I的化合物，其中R1，R2和在规范中定义，并且其药学上可接受的酸加合盐。
• Azalactam compounds as HPK1 inhibitors
  申请人：Pfizer Inc.

  公开号：US11142525B2

  公开（公告）日：2021-10-12

  This invention relates to compounds of general Formula (I) and pharmaceutically acceptable salts thereof, in which R1, R1a, R2, R3, R4, and (R5)a are as defined herein, to pharmaceutical compositions comprising such compounds and pharmaceutically acceptable salts thereof, and to methods of using such compounds, pharmaceutically acceptable salts and compositions for the treatment of abnormal cell growth, including cancer.

  本发明涉及通式 (I) 的化合物 及其药学上可接受的盐，其中 R1、R1a、R2、R3、R4 和 (R5)a 如本文所定义；包含此类化合物及其药学上可接受的盐的药物组合物；以及使用此类化合物、药学上可接受的盐和组合物治疗异常细胞生长（包括癌症）的方法。
• HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1
  申请人：F. Hoffmann-Roche AG

  公开号：EP1848694A1

  公开（公告）日：2007-10-31
• Azalactam Compounds as HPK1 Inhibitors
  申请人：Pfizer Inc.

  公开号：US20200172539A1

  公开（公告）日：2020-06-04

  This invention relates to compounds of general Formula (I) and pharmaceutically acceptable salts thereof, in which R 1 , R 1a , R 2 , R 3 , R 4 , and (R 5 ) a are as defined herein, to pharmaceutical compositions comprising such compounds and pharmaceutically acceptable salts thereof, and to methods of using such compounds, pharmaceutically acceptable salts and compositions for the treatment of abnormal cell growth, including cancer.