(4R*)-(2-chloro-3-(trifluoromethyl)phenyl)((4R)-4-methyl-1-(6-methyl-1,6-dihydropyrimidine-2-yl)-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridine-5(4H)-yl)methanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4R*)-(2-chloro-3-(trifluoromethyl)phenyl)((4R)-4-methyl-1-(6-methyl-1,6-dihydropyrimidine-2-yl)-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridine-5(4H)-yl)methanone
• 英文别名: (4R*)-(2-chloro-3-(trifluoromethyl)phenyl)((4R)-4-methyl-1-(6-methyl-1,6-dihydropyrimidin-2-yl)-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridine-5(4H)-yl)methanone；(4R*)-(2-Chloro-3-(trifluoromethyl)phenyl)((4R)-4-methyl-1-(6-methyl-1,6-dihydropyrimidin-2-yl)-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridin-5(4H)-yl)methanone；(2-chloro-3-(trifluoromethyl)phenyl)((4R)-4-methyl-1-(6-methyl-1,6-dihydropyrimidin-2-yl)-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridine-5(4H)-yl)methanone；(2-Chloro-3-(trifluoromethyl)phenyl)((4R)-4-methyl-1-(6-methyl-1,6-dihydropyrimidin-2-yl)-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridin-5(4H)-yl)methanone；[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-4-methyl-1-(4-methyl-1,4-dihydropyrimidin-2-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
• 化学式: C₁₉H₁₈ClF₃N₆O
• 分子量: 438.84
• InChiKey: FUXFJFICKFOAPF-RRKGBCIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  75.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (4R*)-(2-chloro-3-(trifluoromethyl)phenyl)((4R)-4-methyl-1-(6-methyl-1,6-dihydropyrimidine-2-yl)-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridine-5(4H)-yl)methanone 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 为溶剂， 反应 0.03h， 以59%的产率得到(4R)-(2-Chloro-3-(trifluoromethyl)phenyl)(4-methyl-1-(4-methylpyrimidin-2-yl)-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridin-5(4H)-yl)methanone
  参考文献：
  名称：

  US2014/275015

  摘要：

  公开号：
• 作为产物：
  描述：

  2-chloro-N-(1-(5-(2-hydroxyethyl)-1-(pyrimidin-2-yl)-1H-1,2,3-triazol-4-yl)ethyl)-3-(trifluoromethyl)benzamide 在 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氧化碳 、 mineral oil 为溶剂， 反应 19.0h， 生成 (4R*)-(2-chloro-3-(trifluoromethyl)phenyl)((4R)-4-methyl-1-(6-methyl-1,6-dihydropyrimidine-2-yl)-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridine-5(4H)-yl)methanone
  参考文献：
  名称：

  US2014/275015

  摘要：

  公开号：

文献信息

• P2X7 MODULATORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20150322062A1

  公开（公告）日：2015-11-12

  The present invention is directed to compounds of Formulas (I, IIa and IIb): The invention also relates to pharmaceutical compositions comprising compounds of Formulas (I, IIa and IIb). Methods of making and using the compounds of Formulas (I, IIa and IIb) are also within the scope of the invention.

  本发明涉及公式（I，IIa和IIb）的化合物：本发明还涉及包括公式（I，IIa和IIb）的化合物的制药组合物。制备和使用公式（I，IIa和IIb）的方法也在本发明的范围内。
• P2X7 modulators and methods of use
  申请人：Janssen Pharmaceutica NV

  公开号：US10112937B2

  公开（公告）日：2018-10-30

  The present invention is directed to compounds of Formulas (I, Ia, IIa and IIb). The invention also relates to pharmaceutical compositions comprising compounds of Formulas (I, Ia, IIa and IIb). Methods of making and using the compounds of Formulas (I, Ia, IIa and IIb) are also within the scope of the invention.

  本发明涉及式（I、Ia、IIa 和 IIb）化合物。本发明还涉及包含式（I、Ia、IIa 和 IIb）化合物的药物组合物。式（I、Ia、IIa 和 IIb）化合物的制造和使用方法也属于本发明的范围。
• P2X7 modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US10150765B2

  公开（公告）日：2018-12-11

  The present invention is directed to compounds of Formulas (I, IIa and IIb): The invention also relates to pharmaceutical compositions comprising compounds of Formulas (I, IIa and IIb). Methods of making and using the compounds of Formulas (I, IIa and IIb) are also within the scope of the invention.

  本发明涉及式（I、IIa 和 IIb）化合物： 本发明还涉及包含式（I、IIa 和 IIb）化合物的药物组合物。式（I、IIa 和 IIb）化合物的制造和使用方法也属于本发明的范围。
• US20140275015A1
  申请人：——

  公开号：US20140275015A1

  公开（公告）日：2014-09-18
• P2X7 Modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US20190092770A1

  公开（公告）日：2019-03-28

  The present invention is directed to compounds of Formulas (I, IIa and IIb): The invention also relates to pharmaceutical compositions comprising compounds of Formulas (I, IIa and IIb). Methods of making and using the compounds of Formulas (I, IIa and IIb) are also within the scope of the invention.