5-[3-(Trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylic acid | 1075231-23-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-[3-(Trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylic acid
• CAS: 1075231-23-0
• 化学式: C₉H₅F₃N₄O₂
• mdl: MFCD20153566
• 分子量: 258.16
• InChiKey: AZVSUFFJUVNTKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  80.9
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  Methyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate 在 水 、 lithium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 4.0h， 生成 5-[3-(Trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylic acid
  参考文献：
  名称：

  AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUPS

  摘要：

  公开号：

  EP2147914B1

文献信息

• Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20150307465A1

  公开（公告）日：2015-10-29

  In its many embodiments, the present invention provides certain iminothiadiazine dioxide compounds, including compounds Formula (I): and include stereoisomers thereof, and pharmaceutically acceptable salts of said compounds stereoisomers, wherein each of R 1 , R 2 , R 3 , R 4 , R 5 , R 9 , ring A, ring B, m, n, p, -L 1 -, -L 2 -, and -L 3 - is selected independently and as defined herein. The novel iminothiadiazine dioxide compounds of the invention have surprisingly been found to exhibit properties which are expected to render them advantageous as BACE inhibitors and/or for the treatment and prevention of various pathologies related to β-amyloid (“Aβ”) production. Pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other active agents), and methods for their preparation and use in treating pathologies associated with amyloid beta (Aβ) protein, including Alzheimer's disease, are also disclosed.

  本发明提供了多种形式的亚氨基噻二唑二氧化物化合物，包括公式(I)的化合物： 包括它们的立体异构体，以及所述立体异构体的药用可接受盐，其中R1、R2、R3、R4、R5、R9、环A、环B、m、n、p、-L1-、-L2-和-L3-都是独立选择且按本文定义。发明的新型亚氨基噻二唑二氧化物化合物出人意料地被发现具有预期的特性，使其作为BACE抑制剂以及/或用于治疗和预防与β-淀粉样蛋白（“Aβ”）生成相关的各种病理学具有优势。还公开了包含一个或多个此类化合物（单独使用和与一个或多个其他活性成分组合使用）的药物组合物，以及它们的制备方法和用于治疗与淀粉样β（Aβ）蛋白相关的病理学，包括阿尔茨海默病的方法。
• Oxazine Derivatives and their Use in the Treatment of Neurological Disorders
  申请人：BADIGER Sangamesh

  公开号：US20120172359A1

  公开（公告）日：2012-07-05

  The invention relates to novel heterocyclic compounds of the formula in which all of the variables are as defined in the specification, in free form or in salt form, to their preparation, to their medical use and to medicaments comprising them.

  该发明涉及一种新颖的杂环化合物，其化学式为其中所有变量如规范中定义的，在自由形式或盐形式中，其制备方法，其医药用途以及包含它们的药物。
• IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE
  申请人：Scott Jack D.

  公开号：US20120183563A1

  公开（公告）日：2012-07-19

  In its many embodiments, the present invention provides certain iminothiadiazine dioxide compounds, including compounds Formula (I): (I) and include stereoisomers thereof, and pharmaceutically acceptable salts of said compounds stereoisomers, wherein each of R 1 , R 2 , R 3 , R 4 , R 5 , R 9 , ring A, ring B, m, n, p, -L 1 -,L 2 -, and L 3 - is selected independently and as defined herein. The novel iminothiadiazine dioxide compounds of the invention have surprisingly been found to exhibit properties which are expected to render them advantageous as BACE inhibitors and/or for the treatment and prevention of various pathologies related to β-amyloid (Aβ) production. Pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other active agents), and methods for their preparation and use in treating pathologies associated with amyloid beta (Aβ) protein, including Alzheimers disease, are also disclosed.

  在其多种实施方式中，本发明提供了某些亚硫酰二氮杂环化合物，包括化合物式（I）：（I）及其立体异构体和所述化合物立体异构体的药学上可接受的盐，其中R1、R2、R3、R4、R5、R9、环A、环B、m、n、p、-L1-、L2-和L3-各自独立选择并如所定义。本发明的新型亚硫酰二氮杂环化合物出人意料地表现出预期的性质，使它们作为BACE抑制剂和/或用于治疗和预防与β-淀粉样蛋白（Aβ）产生相关的各种病理学具有优势。还公开了包括一种或多种这样的化合物（单独和与一种或多种其他活性剂的组合）的制药组合物，以及用于治疗与淀粉样β（Aβ）蛋白相关的病理学，包括阿尔茨海默病的方法。
• OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS
  申请人：Badiger Sangamesh

  公开号：US20120302558A1

  公开（公告）日：2012-11-29

  The invention relates to novel heterocyclic compounds of the formula in which all of the variables are as defined in the specification, in free form or in salt form, to their preparation, to their medical use and to medicaments comprising them.

  本发明涉及公式中所有变量均如规范所定义的新异环化合物，以自由形式或盐形式，以及它们的制备、医药用途和包含它们的药物。
• IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE
  申请人：Scott Jack D.

  公开号：US20140296221A1

  公开（公告）日：2014-10-02

  In its many embodiments, the present invention provides certain iminothiadiazine dioxide compounds, including compounds Formula (I): and include stereoisomers thereof, and pharmaceutically acceptable salts of said compounds stereoisomers, wherein each of R 1 , R 2 , R 3 , R 4 , R 5 , R 9 , ring A, ring B, m, n, p, -L 1 -, -L 2 -, and -L 3 - is selected independently and as defined herein. The novel iminothiadiazine dioxide compounds of the invention have surprisingly been found to exhibit properties which are expected to render them advantageous as BACE inhibitors and/or for the treatment and prevention of various pathologies related to β-amyloid (“Aβ”) production. Pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other active agents), and methods for their preparation and use in treating pathologies associated with amyloid beta (Aβ) protein, including Alzheimer's disease, are also disclosed.

  在其多种实施方式中，本发明提供了某些亚氨基噻二嗪二氧化物化合物，包括化合物公式（I）的化合物：以及其立体异构体和该化合物立体异构体的药学上可接受的盐，其中每个R1、R2、R3、R4、R5、R9、环A、环B、m、n、p、-L1-、-L2-和-L3-独立选择并在此定义。本发明的新型亚氨基噻二嗪二氧化物化合物出乎意料地表现出有利于作为BACE抑制剂和/或用于治疗和预防与β-淀粉样蛋白（“Aβ”）产生相关的各种病理的性质。还公开了包括一个或多个此类化合物（单独和与一个或多个其他活性剂的组合）的制药组合物，以及用于治疗与淀粉样β（Aβ）蛋白相关的病理，包括阿尔茨海默病的制备和使用方法。