N-(5-(2-(甲基硫代)乙氧基)嘧啶-2-基)己酰胺 | 1057667-17-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-(5-(2-(甲基硫代)乙氧基)嘧啶-2-基)己酰胺
• 英文名称: N-{5-[2-(methylthio)ethoxy]pyrimidin-2-yl}hexanamide
• 英文别名: N-(5-(2-(methylthio)ethoxy)pyrimidin-2-yl)hexanamide；N-[5-(2-methylsulfanylethoxy)pyrimidin-2-yl]hexanamide
• CAS: 1057667-17-0
• 化学式: C₁₃H₂₁N₃O₂S
• 分子量: 283.395
• InChiKey: YZQWRIUMSMSPFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  89.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(5-(2-(甲基硫代)乙氧基)嘧啶-2-基)己酰胺 在 甲醇 、 sodium methylate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 14.17h， 生成 N-({3-[(cyclopentylmethyl)(ethyl)amino]-6-methoxypyridin-2-yl}methyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine
  参考文献：
  名称：

  NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME

  摘要：

  通式（I）表示的化合物，其中R1、R2、R3、R4和R5表示氢原子、卤原子、低烷基基团等，R6表示烷基基团、环烷基基团等，R7和R8表示氢原子、低烷基基团、（低环烷基）（低烷基）基团等，R9表示氢原子、卤原子、低烷氧基团等，R10和R11表示氢原子、低烷基基团、低烷氧基团、卤代（低烷基）基团等，A表示由6到10个原子构成的杂环环，对胆固醇酯转移蛋白（CETP）具有强大的抑制活性。

  公开号：

  US20090062306A1
• 作为产物：
  描述：

  N-(5-methoxypyrimidin-2-yl)hexanamide 在 三溴化硼 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 2.5h， 生成 N-(5-(2-(甲基硫代)乙氧基)嘧啶-2-基)己酰胺
  参考文献：
  名称：

  NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME

  摘要：

  一个由以下通用公式（I）表示的化合物，其中R1、R2、R3、R4和R5代表氢原子、卤素（低烷基）基团、氰基团等，R6代表烷基基团、环烷基基团等，R7、R8、R9和R10代表氢原子、卤素原子、低烷基基团、卤素（低烷基）基团等，R11和R12代表氢原子、低烷基基团、（低环烷基）（低烷基）基团等，R13代表氢原子、卤素原子、低烷氧基团等，具有对胆固醇酯转移蛋白（CETP）具有强大抑制活性的化合物。

  公开号：

  US20090082352A1

文献信息

• NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME
  申请人：OHGIYA Tadaaki

  公开号：US20090082352A1

  公开（公告）日：2009-03-26

  A compound represented by the following general formula (I), wherein R 1 , R 2 , R 3 , R 4 and R 5 represent hydrogen atom, a halo(lower alkyl) group, cyano group and the like, R 6 represents an alkyl group, a cycloalkyl group and the like, R 7 , R 8 , R 9 and R 10 represent hydrogen atom, a halogen atom, a lower alkyl group, a halo(lower alkyl) group and the like, R 11 and R 12 represent hydrogen atom, a lower alkyl group, a (lower cycloalkyl) (lower alkyl) group and the like, and R 13 represents hydrogen atom, a halogen atom, a lower alkoxy group and the like, which has potent inhibitory activity on cholesterol ester transfer protein (CETP).

  一个由以下通用公式（I）表示的化合物，其中R1、R2、R3、R4和R5代表氢原子、卤素（低烷基）基团、氰基团等，R6代表烷基基团、环烷基基团等，R7、R8、R9和R10代表氢原子、卤素原子、低烷基基团、卤素（低烷基）基团等，R11和R12代表氢原子、低烷基基团、（低环烷基）（低烷基）基团等，R13代表氢原子、卤素原子、低烷氧基团等，具有对胆固醇酯转移蛋白（CETP）具有强大抑制活性的化合物。
• Substituted pyrimidine compounds and their utility as CETP inhibitors
  申请人：Kowa Company, Ltd.

  公开号：US07790737B2

  公开（公告）日：2010-09-07

  A compound represented by the following general formula (I), wherein R1, R2, R3, R4 and R5 represent hydrogen atom, a halogen atom, a lower alkyl group and the like, R6 represents an alkyl group, a cycloalkyl group and the like, R7 and R8 represent hydrogen atom, a lower alkyl group, a (lower cycloalkyl)(lower alkyl) group and the like, R9 represents hydrogen atom, a halogen atom, a lower alkoxy group and the like, R10 and R11 represent hydrogen atom, a lower alkyl group, a lower alkoxy group, a halo(lower alkyl) group and the like, and A represents a heterocyclic ring constituted by 6 to 10 atoms, which has potent inhibitory activity on cholesterol ester transfer protein (CETP).

  下列通式（I）所代表的化合物，其中R1、R2、R3、R4和R5代表氢原子、卤素原子、低级烷基等；R6代表烷基、环烷基等；R7和R8代表氢原子、低级烷基、（低级环烷基）（低级烷基）等；R9代表氢原子、卤素原子、低级烷氧基等；R10和R11代表氢原子、低级烷基、低级烷氧基、卤素（低级烷基）等；A代表由6到10个原子构成的杂环，具有对胆固醇酯转移蛋白（CETP）的强抑制活性。
• Pyrimidine compound having dibenzylamine structure and medicament comprising the same
  申请人：Kowa Company, Ltd.

  公开号：US07659271B2

  公开（公告）日：2010-02-09

  A compound represented by the following general formula (I), wherein R1, R2, R3, R4 and R5 represent hydrogen atom, a halo(lower alkyl) group, cyano group and the like, R6 represents an alkyl group, a cycloalkyl group and the like, R7, R8, R9 and R10 represent hydrogen atom, a halogen atom, a lower alkyl group, a halo(lower alkyl) group and the like, R11 and R12 represent hydrogen atom, a lower alkyl group, a (lower cycloalkyl) (lower alkyl) group and the like, and R13 represents hydrogen atom, a halogen atom, a lower alkoxy group and the like, which has potent inhibitory activity on cholesterol ester transfer protein (CETP).

  化合物的一般式(I)如下，其中R1、R2、R3、R4和R5代表氢原子、卤(lower alkyl)基团、氰基团等，R6代表烷基、环烷基等，R7、R8、R9和R10代表氢原子、卤素原子、低碳基、卤(lower alkyl)基团等，R11和R12代表氢原子、低碳基、(低环烷基)(低碳基)基团等，R13代表氢原子、卤素原子、低烷氧基等，该化合物具有对胆固醇酯转移蛋白(CETP)的强抑制活性。
• NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(HETEROCYCLICMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME
  申请人：Kowa Company. Ltd.

  公开号：EP2138489A1

  公开（公告）日：2009-12-30

  A compound represented by the following general formula (I), wherein R1, R2, R3, R4 and R5 represent hydrogen atom, a halogen atom, a lower alkyl group and the like, R6 represents an alkyl group, a cycloalkyl group and the like, R7 and R8 represent hydrogen atom, a lower alkyl group, a (lower cycloalkyl)(lower alkyl) group and the like, R9 represents hydrogen atom, a halogen atom, a lower alkoxy group and the like, R10 and R11 represent hydrogen atom, a lower alkyl group, a lower alkoxy group, a halo(lower alkyl) group and the like, and A represents a heterocyclic ring constituted by 6 to 10 atoms, which has potent inhibitory activity on cholesterol ester transfer protein (CETP).

  由以下通式（I）代表的化合物，其中 R1、R2、R3、R4 和 R5 代表氢原子、卤素原子、低级烷基等，R6 代表烷基、环烷基等，R7 和 R8 代表氢原子、低级烷基、（低级环烷基）（低级烷基）等、R9 代表氢原子、卤素原子、低级烷氧基等，R10 和 R11 代表氢原子、低级烷基、低级烷氧基、卤代（低级烷基）基团等，A 代表由 6 至 10 个原子构成的杂环，对胆固醇酯转移蛋白（CETP）具有强效抑制活性。
• NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE, AND MEDICINE COMPRISING THE COMPOUND
  申请人：Kowa Company. Ltd.

  公开号：EP2149563A1

  公开（公告）日：2010-02-03

  A compound represented by the following general formula (I), wherein R1, R2, R3, R4 and R5 represent hydrogen atom, a halo(lower alkyl) group, cyano group and the like, R6 represents an alkyl group, a cycloalkyl group and the like, R7, R8, R9 and R10 represent hydrogen atom, a halogen atom, a lower alkyl group, a halo(lower alkyl) group and the like, R11 and R12 represent hydrogen atom, a lower alkyl group, a (lower cycloalkyl)(lower alkyl) group and the like, and R13 represents hydrogen atom, a halogen atom, a lower alkoxy group and the like, which has potent inhibitory activity on cholesterol ester transfer protein (CETP).

  由以下通式(I)代表的化合物，其中 R1、R2、R3、R4 和 R5 代表氢原子、卤代（低级烷基）基团、氰基等，R6 代表烷基、环烷基等，R7、R8、R9 和 R10 代表氢原子、卤素原子、低级烷基、卤代（低级烷基）基团等，R11 和 R12 代表氢原子、低级烷基、（低级环烷基）（低级烷基）基团等，以及 R13 代表卤代（低级环烷基）（低级烷基）基团等、R11和R12代表氢原子、低级烷基、（低级环烷基）（低级烷基）基团等，R13代表氢原子、卤素原子、低级烷氧基等，它们对胆固醇酯转移蛋白（CETP）具有强效抑制活性。