3'-(trifluoromethyl)-3,6-dihydro-2H-[1,2']bipyridine-4-carboxylic acid | 850040-11-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3'-(trifluoromethyl)-3,6-dihydro-2H-[1,2']bipyridine-4-carboxylic acid
• 英文别名: 3'-trifluoromethyl-5,6-dihydro-2H-[1,2']-bipyridinyl-4-carboxylic acid；3'-(trifluoromethyl)-3,6-dihydro-2H-1,2'-bipyridine-4-carboxylic acid；3'-(trifluoromethyl)-3,6-dihydro-2H-[1,2'-bipyridine]-4-carboxylic acid；1-[3-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
• CAS: 850040-11-8
• 化学式: C₁₂H₁₁F₃N₂O₂
• 分子量: 272.227
• InChiKey: PNLVRGHAYJWVKF-UHFFFAOYSA-N

物化性质

• 沸点：
  413.1±45.0 °C(Predicted)
• 密度：
  1.418±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  3'-(trifluoromethyl)-3,6-dihydro-2H-[1,2']bipyridine-4-carboxylic acid 在 氯化亚砜 作用下， 反应 2.0h， 生成 C₁₂H₁₀ClF₃N₂O
  参考文献：
  名称：

  Vanilloid receptor modulators

  摘要：

  公开号：

  EP1627869B1
• 作为产物：
  描述：

  methyl 1-[3-(trifluoromethyl)pyridin-2-yl]-1,2,3,6-tetrahydropyridine-4-carboxylate 在 sodium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 4.0h， 生成 3'-(trifluoromethyl)-3,6-dihydro-2H-[1,2']bipyridine-4-carboxylic acid
  参考文献：
  名称：

  Novel amides useful for treating pain

  摘要：

  本发明涉及式(I-VII)的化合物或其药用可接受的盐或前药，其中A、L、R6、R7和R8在此有所定义。本发明还涉及使用这些化合物治疗疼痛的方法以及包含这些化合物的药物组合物。

  公开号：

  US20050080095A1

文献信息

• Amide derivative
  申请人：Nakagawa Tadakiyo

  公开号：US20060128755A1

  公开（公告）日：2006-06-15

  Amide derivatives represented by the formula (I): wherein: A is a cycloalkyl group, an aryl group or a heteroaryl group; X is a nitrogen atom or CR17; Y is —NRa—, —(CRbRb′)m—, and the like; m is 0 to 4; and R1 to R17 may be the same or different and each is a hydrogen atom, a halogen atom, a cyano group, a nitro group, a carboxyl group, a formyl group, a hydroxyl group, an ammonium group, an alkyl group optionally having one or more substituents, ZR18 and the like, Z is —O—, —S(O)p—, —S(O)pO—, —NH—, —NR19—, and the like; or R1 and R2 may in combination form a ring, a pharmaceutically acceptable salt thereof, a hydrate thereof, or a solvate thereof may be applied to pharmaceutical use such as anti-inflammatory and analgesic action and the like.

  式(I)所代表的酰胺衍生物：其中：A是环烷基，芳基或杂环芳基；X是氮原子或CR17；Y是—NRa—，—(CRbRb′)m—等；m为0至4；R1至R17可能相同或不同，每个都是氢原子，卤素原子，氰基，硝基，羧基，甲酰基，羟基，铵基，可选择具有一个或多个取代基的烷基，ZR18等，Z是—O—，—S(O)p—，—S(O)pO—，—NH—，—NR19—等；或R1和R2可以组成一个环，其药学上可接受的盐，水合物或溶剂化物可用于制备抗炎和镇痛等药物。
• Amides useful for treating pain
  申请人：Abbott Laboratories

  公开号：US07129235B2

  公开（公告）日：2006-10-31

  The present invention relates to compounds of formula (I-VII) or a pharmaceutically acceptable salt or prodrug thereof, in which A, L, R6, R7 and R8 are defined herein. The present invention also relates to methods of trating pain using these compounds and pharmaceutical compositions including these compounds.

  本发明涉及式(I-VII)化合物或其药学上可接受的盐或前药，其中A、L、R6、R7和R8在此定义。本发明还涉及使用这些化合物治疗疼痛的方法和包括这些化合物的制药组合物。
• AMIDE DERIVATIVE
  申请人：Nakagawa Tadakiyo

  公开号：US20090258900A1

  公开（公告）日：2009-10-15

  Amide derivatives represented by the formula (I): wherein: A is a cycloalkyl group, an aryl group or a heteroaryl group; X is a nitrogen atom or CR17; Y is —NRa—, —(CRbRb′)m-, and the like; m is 0 to 4; and R1 to R17 may be the same or different and each is a hydrogen atom, a halogen atom, a cyano group, a nitro group, a carboxyl group, a formyl group, a hydroxyl group, an ammonium group, an alkyl group optionally having one or more substituents, -ZR18 and the like, Z is —O—, —S(O)p-, —S(O)pO—, —NH—, —NR19-, and the like; or a pharmaceutically acceptable salt thereof, a hydrate thereof, or a solvate thereof may be applied to pharmaceutical use such as anti-inflammatory and analgesic action and the like.

  式（I）所表示的酰胺衍生物，其中：A是环烷基团、芳基团或杂环芳基团；X是氮原子或CR17；Y是—NRa—、—(CRbRb′)m-等；m为0至4；R1至R17可能相同或不同，每个都是氢原子、卤素原子、氰基、硝基、羧基、甲酰基、羟基、铵基、可选具有一个或多个取代基的烷基、-ZR18等，Z是—O—、—S(O)p-、—S(O)pO—、—NH—、—NR19-等；或其药学上可接受的盐、水合物或溶剂化物可用于药物的使用，例如抗炎和镇痛作用等。
• NOVEL AMIDES USEFUL FOR TREATING PAIN
  申请人：LEE CHIH-HUNG

  公开号：US20080153809A1

  公开（公告）日：2008-06-26

  The present invention relates to compounds of formula (I-VII) or a pharmaceutically acceptable salt or prodrug thereof, in which A, L, R 6 , R 7 and R 8 are defined herein. The present invention also relates to methods of treating pain using these compounds and pharmaceutical compositions including these compounds.

  本发明涉及公式（I-VII）化合物或其药学上可接受的盐或前药，其中A、L、R6、R7和R8在此被定义。本发明还涉及使用这些化合物治疗疼痛的方法和包括这些化合物的制药组合物。
• Anti-inflammatory and analgesic piperidine derivatives
  申请人：Ajinomoto Co., Inc.

  公开号：EP2281823A2

  公开（公告）日：2011-02-09

  An amide derivative has formula (III): wherein A is any of an aryl group, a heteroaryl group and a cycloalkyl group; X is a nitrogen atom or CR17; Y is -NH- or -NHCH2-; R3 and R4 are both H or are bonded to each other to form a carbon-carbon bond; R8 is an optionally substituted alkyl group, a halogen atom, a nitro group or a cyano group; and R12, R13, R14, R15, R16, and R17 may be the same or different and each is a hydrogen atom, a halogen atom, a cyano group, a nitro group, an alkyl group optionally having a substituent(s), an alkenyl group optionally having a substituent(s), or -ZR18, where Z is -NR19-, - NHC(=O)-, -O-, -C(=O)-, -NH-, -NHS(O)2-, -C(=O)O-, or -S-, and R18 and R19 may be the same or different, and each is a hydrogen atom, an alkyl group optionally having a substituent(s), or an aryl group optionally having a substituent(s). The derivative may be in the form of a pharmaceutically acceptable salt, a hydrate or a solvate.

  酰胺衍生物具有式 (III)： 其中 A 是芳基、杂芳基和环烷基中的任一个；X 是氮原子或 CR17；Y 是 -NH- 或 -NHCH2-；R3 和 R4 都是 H 或相互键合形成碳-碳键；R8 是任选取代的烷基、卤素原子、硝基或氰基；R12、R13、R14、R15、R16 和 R17 可以相同或不同，且各自为氢原子、卤素原子、氰基、硝基、任选具有取代基的烷基、任选具有取代基的烯基或-ZR18、其中 Z 是-NR19-、-NHC(＝O)-、-O-、-C(＝O)-、-NH-、-NHS(O)2-、-C(＝O)O-或-S-，R18 和 R19 可以相同或不同，并且各自是氢原子、任选具有取代基的烷基或任选具有取代基的芳基。 衍生物可以是药学上可接受的盐、水合物或溶液。