6-(pyrimidin-4-ylamino)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]isoquinolin-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 6-(pyrimidin-4-ylamino)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]isoquinolin-3-one
• 英文别名: US10112955, Example 29；6-(pyrimidin-4-ylamino)-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
• 化学式: C₁₄H₁₂N₄O
• 分子量: 252.275
• InChiKey: VMQOZKDOCMTDLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  66.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-溴-4-硝基苯甲酸 在 盐酸 、 4-二甲氨基吡啶 、 potassium phosphate 、 di-tert-butyl(methyl)phosphonium tetrafluoroborate salt 、 palladium diacetate 、 铁粉 、 N,N-二异丙基乙胺 、 cesium pivalate 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 三氟乙酸 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 、 异丙醇 、 甲苯 为溶剂， 反应 43.33h， 生成 6-(pyrimidin-4-ylamino)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]isoquinolin-3-one
  参考文献：
  名称：

  Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of Mnk1 and Mnk2

  摘要：

  本发明提供了根据式I合成的化合物、药用可接受的配方和用途，或其立体异构体、互变异构体或药用可接受的盐。 对于式I中的化合物A1、A2、A3、A4、A5、W1、Y、R1、R2、R3、R4、R5、R6a、R6b、R7、R8、R8a、R8b、R9、R9a、R9b和R10以及下标“n”，如规范中所定义。创新的式I化合物是Mnk的抑制剂，并在许多治疗应用中发挥作用，包括但不限于治疗炎症和各种癌症。

  公开号：

  US10112955B2

文献信息

• ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2
  申请人：eFFECTOR THERAPEUTICS, INC.

  公开号：US20170121346A1

  公开（公告）日：2017-05-04

  The present invention provides synthesis, pharmaceutically acceptable formulations and uses of compounds in accordance with Formula I, or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof. For Formula I compounds A 1 , A 2 , A 3 , A 4 , A 5 , W 1 , Y, R 1 , R 2 , R 3 , R 4 , R 5 , R 6a , R 6b , R 7 , R 8 , R 8a , R 8b , R 9 , R 9a , R 9b , and R 10 and subscript “n” are as defined in the specification. The inventive Formula I compounds are inhibitors of Mnk and find utility in any number of therapeutic applications, including but not limited to treatment of inflammation and various cancers.
• [EN] ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2<br/>[FR] COMPOSÉS ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE ET DIHYDROAZAINDENONE UTILISÉS COMME INHIBITEURS DE MNK1 ET MNK2
  申请人：EFFECTOR THERAPEUTICS INC

  公开号：WO2017075394A1

  公开（公告）日：2017-05-04

  The present invention provides synthesis, pharmaceutically acceptable formulations and uses of compounds in accordance with Formula I, or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof. For Formula I compounds A1, A2, A3, A4, A5, W1, Y, R1, R2, R3, R4, R5, R6a, R6b, R7, R8, R8a, R8b, R9, R9a, R9b, and R10 and subscript "n" are as defined in the specification. The inventive Formula I compounds are inhibitors of Mnk and find utility in any number of therapeutic applications, including but not limited to treatment of inflammation and various cancers.
• Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of Mnk1 and Mnk2
  申请人：eFFECTOR THERAPEUTICS, INC.

  公开号：US10112955B2

  公开（公告）日：2018-10-30

  The present invention provides synthesis, pharmaceutically acceptable formulations and uses of compounds in accordance with Formula I, or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof. For Formula I compounds A1, A2, A3, A4, A5, W1, Y, R1, R2, R3, R4, R5, R6a, R6b, R7, R8, R8a, R8b, R9, R9a, R9b, and R10 and subscript “n” are as defined in the specification. The inventive Formula I compounds are inhibitors of Mnk and find utility in any number of therapeutic applications, including but not limited to treatment of inflammation and various cancers.

  本发明提供了根据式I合成的化合物、药用可接受的配方和用途，或其立体异构体、互变异构体或药用可接受的盐。 对于式I中的化合物A1、A2、A3、A4、A5、W1、Y、R1、R2、R3、R4、R5、R6a、R6b、R7、R8、R8a、R8b、R9、R9a、R9b和R10以及下标“n”，如规范中所定义。创新的式I化合物是Mnk的抑制剂，并在许多治疗应用中发挥作用，包括但不限于治疗炎症和各种癌症。