N-(4-methoxybenzyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine | 1006599-53-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-(4-methoxybenzyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine
• 英文别名: 2-(4-methoxybenzylamino)-5-(2-methylthioethoxy)pyrimidine；N-[(4-methoxyphenyl)methyl]-5-(2-methylsulfanylethoxy)pyrimidin-2-amine
• CAS: 1006599-53-6
• 化学式: C₁₅H₁₉N₃O₂S
• 分子量: 305.401
• InChiKey: DHQKFCWQNZZCDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  81.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(4-methoxybenzyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine 在 三乙酰氧基硼氢化钠 、 溶剂黄146 、 三氟乙酸 作用下， 以 溶剂黄146 、 甲苯 为溶剂， 反应 66.5h， 生成 N-({2-[(cyclopentylmethyl)(ethyl)amino]-5-(trifluoromethyl)phenyl}methyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine
  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
• 作为产物：
  描述：

  4-甲氧基苄胺 在 copper(l) iodide 、 caesium carbonate 、 N,N'-二甲基乙二胺 作用下， 以 甲苯 为溶剂， 反应 68.0h， 生成 N-(4-methoxybenzyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine
  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 benzyl(pyridylmethyl)amine structure and medicament comprising the same
  申请人：OHGIYA Tadaaki

  公开号：US20090054474A1

  公开（公告）日：2009-02-26

  A compound represented by the following general formula (I) or a salt thereof, or a solvate thereof: (wherein R 1 , R 2 , R 3 , R 4 and R 5 are the same or different, and represent hydrogen atom, a halogen atom, a lower alkyl group etc., R 6 , R 7 and R 8 are the same or different, and represent hydrogen atom, a halogen atom, a lower alkyl group etc., R 9 and R 10 are the same or different, and represent hydrogen atom, a lower alkyl group, a (lower cycloalkyl)(lower alkyl) group etc., and R 11 represents hydrogen atom, a halogen atom, a lower alkoxy group, a (lower alkyl)thio(lower alkoxy) group, a (lower alkyl)sulfinyl(lower alkoxy) group, a (lower alkyl)sulfonyl(lower alkoxy) group etc.), which has potent inhibitory activity on CETP.

  由以下一般式（I）表示的化合物或其盐，或其溶剂合物：（其中R1、R2、R3、R4和R5相同或不同，代表氢原子、卤原子、较低烷基等，R6、R7和R8相同或不同，代表氢原子、卤原子、较低烷基等，R9和R10相同或不同，代表氢原子、较低烷基、（较低环烷基）（较低烷基）等，R11代表氢原子、卤原子、较低烷氧基、（较低烷基）硫（较低烷氧基）基、（较低烷基）亚硫基（较低烷氧基）基、（较低烷基）砜基（较低烷氧基）基等），对CETP具有强大的抑制活性。
• METHOD FOR PREPARING 5-[2-(METHYLTHIO)ETHOXY]PYRIMIDINE-2-AMINE
  申请人：Yamazaki Koichi

  公开号：US20110166351A1

  公开（公告）日：2011-07-07

  A novel method for preparing 5-[2-(methylthio)ethoxy]pyrimidin-2-amine useful as a regent or raw material for manufacture of medicaments, agricultural chemicals, and industrial products, which comprises alkanoylating the amino group of a 2-amino-4-alkoxypyrimidine, then converting the resultant into a 4-hydroxypyrimidine compound by a treatment with anhydrous aluminum chloride, further etherifying the 4-hydroxypyrimidine compound by a reaction with a 2-haloethyl methyl sulfide in the presence of a base, and removing the alkanoyl group to obtain 5-[2-(methylthio)ethoxy]pyrimidin-2-amine.

  一种制备5-[2-(甲硫基)乙氧基]嘧啶-2-胺的新方法，该方法可用于制造药物、农业化学品和工业产品的试剂或原料。该方法包括将2-氨基-4-烷氧基嘧啶的氨基基团进行烷酰化处理，然后通过与无水氯化铝处理将其转化为4-羟基嘧啶化合物，进一步在碱的存在下通过与2-卤代乙基甲硫醚反应将4-羟基嘧啶化合物进行醚化，最后去除烷酰基以获得5-[2-(甲硫基)乙氧基]嘧啶-2-胺。
• Pyrimidine compound having benzyl(pyridylmethyl)amine structure and medicament comprising the same
  申请人：Kowa Company, Ltd.

  公开号：US07750019B2

  公开（公告）日：2010-07-06

  A compound represented by the following general formula (I) or a salt thereof, or a solvate thereof: (wherein R1, R2, R3, R4 and R5 are the same or different, and represent hydrogen atom, a halogen atom, a lower alkyl group etc., R6, R7 and R8 are the same or different, and represent hydrogen atom, a halogen atom, a lower alkyl group etc., R9 and R10 are the same or different, and represent hydrogen atom, a lower alkyl group, a (lower cycloalkyl)(lower alkyl) group etc., and R11 represents hydrogen atom, a halogen atom, a lower alkoxy group, a (lower alkyl)thio(lower alkoxy) group, a (lower alkyl)sulfinyl(lower alkoxy) group, a (lower alkyl)sulfonyl(lower alkoxy) group etc.), which has potent inhibitory activity on CETP.

  以下是一种由下列通式(I)表示的化合物或其盐或溶剂物：（其中R1、R2、R3、R4和R5相同或不同，表示氢原子、卤素原子、低碳基等，R6、R7和R8相同或不同，表示氢原子、卤素原子、低碳基等，R9和R10相同或不同，表示氢原子、低碳基、（低环烷基）（低碳基）基等，R11表示氢原子、卤素原子、低烷氧基、（低烷基）硫（低烷氧基）基、（低烷基）亚砜（低烷氧基）基、（低烷基）磺酰（低烷氧基）基等），具有对CETP的强大抑制活性。
• 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。