methyl 5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylate | 1174323-37-5

• 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: methyl 5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylate
• 英文别名: methyl 5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate
• CAS: 1174323-37-5
• 化学式: C₈H₇F₃N₂O₃
• 分子量: 236.15
• InChiKey: NEGXNVPUTZYFJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  61.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  methyl 5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 16.0h， 以188 mg的产率得到5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylic acid
  参考文献：
  名称：

  FUSED MULTI-CYCLIC SULFONE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF

  摘要：

  本发明提供了一类新的化合物，用于调节β-分泌酶（BACE）活性。这些化合物具有一般的化学式I： 其中化学式I中的变量A 5 、A 6 、A 8 、R 1 、R 2 、R 3 、R 7 、X、Y、n和o在此独立定义。该发明还提供了包含这些化合物的药物组合物，以及这些化合物和组合物用于治疗与A-beta斑块形成和沉积相关的疾病和/或症状的对应用途，这些疾病和症状是由BACE的生物活性引起的。这种由BACE介导的疾病包括阿尔茨海默病、认知缺陷、认知障碍、精神分裂症和其他中枢神经系统疾病。该发明还提供了化学式II和其亚式化合物、化学式III的化合物、中间体以及用于制备化学式I-III及其亚式化合物的化合物的制备过程和方法。

  公开号：

  US20140213581A1
• 作为产物：
  描述：

  2,2,2-三氟乙醇 、 5-氯吡嗪-2-羧酸甲酯 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以93%的产率得到methyl 5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxylate
  参考文献：
  名称：

  BACE INHIBITORS

  摘要：

  本发明提供了一种III式化合物：其中A是：以及Z、R1、R2、R3和R4如本文所定义，或其药学上可接受的盐。

  公开号：

  US20140371212A1

文献信息

• FUSED AMINODIHYDROTHIAZINE DERIVATIVES
  申请人：SUZUKI Yuichi

  公开号：US20090209755A1

  公开（公告）日：2009-08-20

  A compound represented by the general formula: or a pharmaceutically acceptable salt thereof or a solvate thereof, wherein Ring A is a C 6-14 aryl group or the like, L is —NR e CO— or the like (wherein R e is a hydrogen atom or the like), Ring B is a C 6-14 aryl group or the like, X is a C 1-3 alkylene group or the like, Y is a single bond or the like, Z is a C 1-3 alkylene group or the like, R 1 and R 2 are each independently a hydrogen atom or the like, and R 3 , R 4 , R 5 and R 6 are independently a hydrogen atom, a halogen atom or the like, has an Aβ production inhibitory effect or a BACE1 inhibitory effect and is useful as a prophylactic or therapeutic agent for a neurodegenerative disease caused by Aβ and typified by Alzheimer-type dementia.

  一个由以下通用公式表示的化合物：或其药用可接受的盐或其溶剂化物，其中环A是C6-14芳基或类似物，L是—NReCO—或类似物（其中Re是氢原子或类似物），环B是C6-14芳基或类似物，X是C1-3烷基烯基或类似物，Y是单键或类似物，Z是C1-3烷基烯基或类似物，R1和R2各自独立地是氢原子或类似物，而R3、R4、R5和R6各自独立地是氢原子、卤原子或类似物，具有Aβ产生抑制作用或BACE1抑制作用，并且可用作由Aβ引起的以阿尔茨海默型痴呆为特征的神经退行性疾病的预防或治疗剂。
• Fused aminodihydrothiazine derivatives
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US08158620B2

  公开（公告）日：2012-04-17

  A compound represented by the general formula: or a pharmaceutically acceptable salt thereof or a solvate thereof, wherein Ring A is a C6-14 aryl group or the like, L is —NReCO— or the like (wherein Re is a hydrogen atom or the like), Ring B is a C6-14 aryl group or the like, X is a C1-3 alkylene group or the like, Y is a single bond or the like, Z is a C1-3 alkylene group or the like, R1 and R2 are each independently a hydrogen atom or the like, and R3, R4, R5 and R6 are independently a hydrogen atom, a halogen atom or the like, has an Aβ production inhibitory effect or a BACE1 inhibitory effect and is useful as a prophylactic or therapeutic agent for a neurodegenerative disease caused by Aβ and typified by Alzheimer-type dementia.

  该化合物的普遍式表示为：或其药学上可接受的盐或溶剂，其中环A为C6-14芳基或类似物，L为—NReCO—或类似物（其中Re为氢原子或类似物），环B为C6-14芳基或类似物，X为C1-3烷基或类似物，Y为单键或类似物，Z为C1-3烷基或类似物，R1和R2各自独立地为氢原子或类似物，而R3、R4、R5和R6各自独立地为氢原子、卤素原子或类似物。该化合物具有Aβ产生抑制作用或BACE1抑制作用，并可用作预防或治疗由Aβ引起的神经退行性疾病，如阿尔茨海默型痴呆症的药物。
• TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US20150065705A1

  公开（公告）日：2015-03-05

  There is provided a novel triazinone compound that has an excellent T-type voltage-dependent calcium channel inhibitory activity and is specifically useful for treatment of pain. A compound of Formula (I), a tautomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof: where each substituent is defined in detail in the description or claims, for example R 1 is H or C 1-6 alkoxy, etc., each of L 1 and L 2 is independently a single bond or NR 2 , etc., L 3 is C 1-6 alkylene, etc., A is C 6-14 aryl or 5 to 10-membered heteroaryl which is optionally substituted, etc., B is C 3-11 cycloalkylene, etc., D is C 6-14 aryl or 5 to 10-membered heteroaryl which is optionally substituted, etc.

  提供了一种新型三嗪酮化合物，具有出色的T型电压依赖性钙离子通道抑制活性，并且特别适用于治疗疼痛。化合物式(I)的化合物，其互变异构体，其药学上可接受的盐或其溶剂化物：其中每个取代基在说明或权利要求书中详细定义，例如R1为H或C1-6烷氧基等，每个L1和L2分别独立地为单键或NR2等，L3为C1-6烷基等，A为C6-14芳基或5至10成员杂环芳基，可选地取代等，B为C3-11环烷基等，D为C6-14芳基或5至10成员杂环芳基，可选地取代等。
• Fused multi-cyclic sulfone compounds as inhibitors of beta-secretase and methods of use thereof
  申请人：AMGEN INC.

  公开号：US09309263B2

  公开（公告）日：2016-04-12

  The present invention provides a new class of compounds useful for the modulation of beta-secretase enzyme (BACE) activity. The compounds have a general Formula I: wherein variables A5, A6, A8, R1, R2, R3, R7, X, Y, n and o of Formula I, independently, are defined herein. The invention also provides pharmaceutical compositions comprising the compounds, and corresponding uses of the compounds and compositions for treatment of disorders and/or conditions related to A-beta plaque formation and deposition, resulting from the biological activity of BACE. Such BACE mediated disorders include, for example, Alzheimer's Disease, cognitive deficits, cognitive impairments, schizophrenia and other central nervous system conditions. The invention further provides compounds of Formula II and sub-formula embodiments thereof, compounds of Formula III, intermediates and processes and methods useful for the preparation of compounds of Formulas I-III, and sub-Formulas thereof.

  本发明提供了一种新的化合物类别，用于调节β-秘鲁酶酶（BACE）活性。该化合物具有通式I：其中，通式I中的变量A5、A6、A8、R1、R2、R3、R7、X、Y、n和o，在此独立地定义。本发明还提供了包含该化合物的药物组合物，并提供了该化合物和组合物用于治疗与A-beta斑块形成和沉积相关的疾病和/或病况的相应用途，这是由BACE的生物活性引起的。这样的BACE介导的疾病包括，例如，阿尔茨海默病、认知缺陷、认知障碍、精神分裂症和其他中枢神经系统疾病。本发明还提供了通式II的化合物及其子式，通式III的化合物，中间体和用于制备通式I-III及其子式化合物的过程和方法。
• CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE
  申请人：Suzuki Yuichi

  公开号：US20100317850A1

  公开（公告）日：2010-12-16

  Disclosed is a compound represented by General formula (I), a pharmaceutically acceptable salt thereof, or a solvate of the compound or the pharmaceutically acceptable salt, which has an inhibitory activity of the production of Aβ or a BACE1-inhibiting activity, and is therefore useful as a prophylactic or therapeutic agent for Aβ-induced neurodegenerative diseases typified by Alzheimer-type dementia. Wherein the ring A represents a C 6-14 aryl group or the like; L represents —NR e CO— [wherein R e represents a hydrogen atom or the like] or the like; the ring B represents a C 6-14 aryl group or the like; X represents a C 1-3 alkylene group or the like; Y represents a single bond or the like; Z represents a C 1-3 alkylene group or the like; R 1 and R 2 independently represent a hydrogen atom or the like; and R 3 , R 4 , R 5 and R 6 independently represent a hydrogen atom, a halogen atom or the like.

  本发明涉及一种由通式（I）表示的化合物，其药学上可接受的盐或该化合物或药学上可接受的盐的溶剂，该化合物具有抑制Aβ产生或BACE1抑制活性，因此可用作治疗由阿尔茨海默病等Aβ诱导的神经退行性疾病的预防或治疗剂。其中，环A表示C6-14芳基或类似物；L表示—NReCO—[其中Re表示氢原子或类似物]或类似物；环B表示C6-14芳基或类似物；X表示C1-3烷基或类似物；Y表示单键或类似物；Z表示C1-3烷基或类似物；R1和R2独立地表示氢原子或类似物；而R3、R4、R5和R6独立地表示氢原子、卤素原子或类似物。