4,4-dimethyl-5'-phenylethynyl-3,4,5,6-tetrahydro-[1,2']bipyridinyl-2-one | 1338491-54-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 4,4-dimethyl-5'-phenylethynyl-3,4,5,6-tetrahydro-[1,2']bipyridinyl-2-one
• 英文别名: 4,4-Dimethyl-1-[5-(2-phenylethynyl)pyridin-2-yl]piperidin-2-one
• CAS: 1338491-54-5
• 化学式: C₂₀H₂₀N₂O
• 分子量: 304.392
• InChiKey: MYAADMBOZUZJPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Arylethynyl derivatives
  申请人：Green Luke

  公开号：US20110251169A1

  公开（公告）日：2011-10-13

  The present invention relates to ethynyl compounds of formula I wherein R1, R2, R2′, R3, R3′, R4, R4′, U, V, W, Y, m, and n are as defined herein and to a pharmaceutically acceptable acid addition salts, to a racemic mixtures, or to its corresponding enantiomers and/or optical isomers and/or stereoisomers thereof. Compounds of formula I are allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5).

  本发明涉及式I的乙炔基化合物，其中R1、R2、R2′、R3、R3′、R4、R4′、U、V、W、Y、m和n如本文所述，以及药用可接受的酸加成盐，或其对映体和/或光学异构体和/或立体异构体的相应外消旋混合物。式I的化合物是代谢型谷氨酸受体5亚型（mGluR5）的变构调节剂。
• Arylethynyl Derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US20130274464A1

  公开（公告）日：2013-10-17

  The present invention relates to ethynyl compounds of formula I wherein R1, R2, R2′, R3, R3′, R4, R4′, U, V, W, Y, m, and n are as defined herein and to a pharmaceutically acceptable acid addition salts, to a racemic mixtures, or to its corresponding enantiomers and/or optical isomers and/or stereoisomers thereof. Compounds of formula I are allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5).

  本发明涉及公式I的乙炔基化合物，其中R1，R2，R2'，R3，R3'，R4，R4'，U，V，W，Y，m和n如本文所定义，并且涉及药学上可接受的酸加成盐，外消旋混合物或其对应的对映体和/或光学异构体和/或立体异构体。公式I的化合物是代谢型谷氨酸受体亚型5（mGluR5）的别构调节剂。
• COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES
  申请人：Chatterjee Arnab Kumar

  公开号：US20140155367A1

  公开（公告）日：2014-06-05

  The present invention provides compounds of formula I: or a pharmaceutically acceptable salt, tautomer, or stereoisomer, thereof, wherein the variables are as defined herein. The present invention further provides pharmaceutical compositions comprising such compounds and methods of using such compounds for treating, preventing, inhibiting, ameliorating, or eradicating the pathology and/or symptomology of a disease caused by a Plasmodium parasite, such as malaria.

  本发明提供了式I的化合物：或其药学上可接受的盐，互变异构体或立体异构体，其中变量如本文所定义。本发明还提供了包含这种化合物的制药组合物以及使用这种化合物治疗、预防、抑制、改善或根除由疟原虫（如疟疾）引起的病理和/或症状的方法。
• Arlethynyl Derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US20140155602A1

  公开（公告）日：2014-06-05

  The present invention relates to ethynyl compounds of formula I-C1 wherein R 1 , R 2 , R 2′ , R 3 , R 3′ , R 6 , U, V and W are as defined herein and to a pharmaceutically acceptable acid addition salts, to a racemic mixtures, or to its corresponding enantiomers and/or optical isomers and/or stereoisomers thereof, which are allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5).

  本发明涉及公式I-C1的乙炔基化合物，其中R1、R2、R2'、R3、R3'、R6、U、V和W如本文所定义，并涉及其对应的手性异构体和/或光学异构体和/或立体异构体的药学上可接受的酸加成盐，它们是代谢型谷氨酸受体亚型5（mGluR5）的变构调节剂。
• ARYLETHYNYL DERIVATIVES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20130178456A1

  公开（公告）日：2013-07-11

  The present invention relates to ethynyl compounds of formula I wherein R1, R2, R2′, R3, R3′, R4, R4′, U, V, W, Y, m, and n are as defined herein and to a pharmaceutically acceptable acid addition salts, to a racemic mixtures, or to its corresponding enantiomers and/or optical isomers and/or stereoisomers thereof. Compounds of formula I are allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5).

  本发明涉及公式I的乙炔基化合物，其中R1、R2、R2'、R3、R3'、R4、R4'、U、V、W、Y、m和n如本文所定义，并且涉及其药学上可接受的酸添加盐、外消旋混合物或其对应的对映体和/或光学异构体和/或立体异构体。公式I的化合物是代谢型谷氨酸受体亚型5（mGluR5）的别构调节剂。