4-(3,6-difluoro-2-methoxy-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester | 1254981-51-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(3,6-difluoro-2-methoxy-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
• 英文别名: 4-(3,6-difluoro-2-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester；tert-butyl 4-(3,6-difluoro-2-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
• CAS: 1254981-51-5
• 化学式: C₁₇H₂₁F₂NO₃
• 分子量: 325.355
• InChiKey: YJGHYYHUQVBRHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(3,6-difluoro-2-methoxy-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 在 palladium diacetate 、 palladium(II) hydroxide 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 盐酸 、 氢气 、 三溴化硼 、 caesium carbonate 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 异丙醇 、 甲苯 为溶剂， 反应 2.25h， 生成 2-[1-[8-chloro-3-(cyclopropylmethyl)-1,2,4-triazolo[4,3-a]pyridin-7-yl]-4-piperidinyl]-3,6-difluoro-phenol
  参考文献：
  名称：

  [EN] RADIOLABELLED mGLuR2 PET LIGANDS
  [FR] LIGANDS RADIOMARQUÉS POUR LA TOMOGRAPHIE PAR ÉMISSION DE POSITRONS DU MGLUR2

  摘要：

  本发明涉及一种新颖的、选择性的、放射标记的mGluR2配体，用于利用正电子发射断层扫描（PET）在组织中成像和定量测量代谢型谷氨酸受体mGluR2。该发明还涉及包含这种化合物的组合物，制备这种化合物和组合物的方法，利用这种化合物和组合物在体内或体外成像组织、细胞或宿主，以及这种化合物的前体。

  公开号：

  WO2012062752A1
• 作为产物：
  描述：

  2,5-二氟苯酚 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 potassium carbonate 、 异丙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙腈 为溶剂， 反应 0.84h， 生成 4-(3,6-difluoro-2-methoxy-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  RADIOLABELLED mGluR2 PET LIGANDS

  摘要：

  本发明涉及新型的、选择性的、放射性标记的mGluR2配体，这些配体可用于使用正电子发射断层扫描（PET）在组织中成像和量化代谢型谷氨酸受体mGluR2。本发明还涉及包含这些化合物的组合物，制备这些化合物和组合物的方法，使用这些化合物和组合物在体外或体内成像组织、细胞或宿主，以及所述化合物的前体。

  公开号：

  US20130230459A1

文献信息

• 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS
  申请人：Cid-Nunez Jose Maria

  公开号：US20120184525A1

  公开（公告）日：2012-07-19

  The present invention relates to novel triazolo[4,3- a ]pyridine derivatives of Formula (I) wherein all radicals are as defined in the claims. The compounds according to the invention are positive allosteric modulators of the metabotropic glutamate receptor subtype 2 (“mGluR2”), which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes to prepare such compounds and compositions, and to the use of such compounds for the prevention or treatment of neurological and psychiatric disorders and diseases in which mGluR2 is involved.

  本发明涉及一种新型的三唑并[4,3-a]吡啶衍生物，其化学式为（I），其中所有基团均如权利要求中所定义。本发明中的化合物是代谢型谷氨酸受体亚型2（“mGluR2”）的正向变构调节剂，可用于治疗或预防与谷氨酸功能障碍有关的神经和精神障碍以及涉及代谢型受体的mGluR2亚型的疾病。本发明还涉及包含这些化合物的制药组合物，制备这些化合物和组合物的过程，以及使用这些化合物预防或治疗涉及mGluR2的神经和精神障碍和疾病的方法。
• 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders
  申请人：JANSSEN PHARMACEUTICALS, INC.

  公开号：US20150141403A1

  公开（公告）日：2015-05-21

  The present invention relates to novel triazolo[4,3-a]pyridine derivatives of Formula (I) wherein all radicals are as defined in the claims. The compounds according to the invention are positive allosteric modulators of the metabotropic glutamate receptor subtype 2 (“mGluR2”), which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes to prepare such compounds and compositions, and to the use of such compounds for the prevention or treatment of neurological and psychiatric disorders and diseases in which mGluR2 is involved.

  本发明涉及一种新型的三唑并[4,3-a]吡啶衍生物，其化学式为（I），其中所有基团如权利要求所定义。本发明的化合物是代谢型谷氨酸受体亚型2（“mGluR2”）的正向变构调节剂，可用于治疗或预防与谷氨酸功能障碍相关的神经和精神障碍以及涉及代谢型受体亚型mGluR2的疾病。本发明还涉及包含这种化合物的制药组合物、制备这种化合物和组合物的过程，以及使用这种化合物预防或治疗涉及mGluR2的神经和精神障碍和疾病的方法。
• 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders
  申请人：Cid-Nunez Jose Maria

  公开号：US08937060B2

  公开（公告）日：2015-01-20

  The present invention relates to novel triazolo[4,3-a]pyridine derivatives of Formula (I) wherein all radicals are as defined in the claims. The compounds according to the invention are positive allosteric modulators of the metabotropic glutamate receptor subtype 2 (“mGluR2”), which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes to prepare such compounds and compositions, and to the use of such compounds for the prevention or treatment of neurological and psychiatric disorders and diseases in which mGluR2 is involved.

  本发明涉及一种新的三唑并[4,3-a]吡啶衍生物，其化学式为(I)，其中所有基团如权利要求中所定义。根据本发明的化合物是代谢性谷氨酸受体亚型2（“mGluR2”）的正向变构调节剂，可用于治疗或预防与谷氨酸功能障碍相关的神经和精神障碍以及涉及代谢型受体亚型mGluR2的疾病。本发明还涉及包含这种化合物的制药组合物，制备这种化合物和组合物的方法，以及使用这种化合物预防或治疗涉及mGluR2的神经和精神障碍和疾病。
• 1,2,4-triazolo [4,3-a] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders
  申请人：JANSSEN PHARMACEUTICALS, INC.

  公开号：US09226930B2

  公开（公告）日：2016-01-05

  The present invention relates to novel triazolo[4,3-a]pyridine derivatives of Formula (I) wherein all radicals are as defined in the claims. The compounds according to the invention are positive allosteric modulators of the metabotropic glutamate receptor subtype 2 (“mGluR2”), which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes to prepare such compounds and compositions, and to the use of such compounds for the prevention or treatment of neurological and psychiatric disorders and diseases in which mGluR2 is involved.

  本发明涉及式（I）的新型三唑并[4,3-a]吡啶衍生物，其中所有基团如权利要求所定义。本发明的化合物是代谢型谷氨酸受体亚型2（“mGluR2”）的正向变构调节剂，可用于治疗或预防与谷氨酸功能障碍有关的神经和精神障碍以及涉及代谢型受体mGluR2的疾病。本发明还涉及包含这种化合物的制药组合物、制备这种化合物和组合物的过程以及使用这种化合物预防或治疗涉及mGluR2的神经和精神障碍和疾病的用途。
• 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of neurological and psychiatric disorders
  申请人：JANSSEN PHARMACEUTICALS, INC.

  公开号：US10071095B2

  公开（公告）日：2018-09-11

  The present invention relates to methods of treating various central nervous system disorders using novel triazolo[4,3-a]pyridine derivatives of Formula (I) wherein all radicals are as defined in the claims. The compounds according to the invention are positive allosteric modulators of the metabotropic glutamate receptor subtype 2 (“mGluR2”), which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes to prepare such compounds and compositions, and to the use of such compounds for the prevention or treatment of neurological and psychiatric disorders and diseases in which mGluR2 is involved.

  本发明涉及使用式 (I) 的新型三唑并[4,3-a]吡啶衍生物治疗各种中枢神经系统疾病的方法 其中所有基团如权利要求中定义。根据本发明的化合物是代谢型谷氨酸受体亚型 2（"mGluR2"）的正异位调节剂，可用于治疗或预防与谷氨酸功能障碍相关的神经和精神疾病以及代谢型受体 mGluR2 亚型参与的疾病。本发明还涉及包含此类化合物的药物组合物、制备此类化合物和组合物的工艺，以及使用此类化合物预防或治疗涉及 mGluR2 的神经和精神障碍及疾病。