tert-butyl 4,6-dimethyl-2-(2-(methyl(1-(pyridine-3-ylmethyl)piperidine-4-yl)amino)-2-oxoethoxy)pyrimidine-5-ylcarbamate | 1080650-47-0

• 分子结构分类: 有机化合物
• 英文名称: tert-butyl 4,6-dimethyl-2-(2-(methyl(1-(pyridine-3-ylmethyl)piperidine-4-yl)amino)-2-oxoethoxy)pyrimidine-5-ylcarbamate
• 英文别名: tert-butyl N-[4,6-dimethyl-2-[2-[methyl-[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]-2-oxoethoxy]pyrimidin-5-yl]carbamate
• CAS: 1080650-47-0
• 化学式: C₂₅H₃₆N₆O₄
• 分子量: 484.599
• InChiKey: XRDNUNLQXUCYLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  tert-butyl 4,6-dimethyl-2-(2-(methyl(piperidine-4-yl)amino)-2-oxoethoxy)pyrimidine-5-ylcarbamate 、 3-(bromomethyl)pyridine hydrobromide 生成 tert-butyl 4,6-dimethyl-2-(2-(methyl(1-(pyridine-3-ylmethyl)piperidine-4-yl)amino)-2-oxoethoxy)pyrimidine-5-ylcarbamate
  参考文献：
  名称：

  Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same

  摘要：

  公式（I）的化合物促进轴突生长和血管生成，因此可用于减少中枢神经损伤，例如头部损伤和脊髓损伤，脑梗塞，缺血性心脏病，周围动脉闭塞病或这些疾病的后遗症。其中Nx基团最好是含有两个氮原子的6元芳香环；R0，R1和R2分别是氢原子，烷基或氨基；E是氧原子或-NR8基团（其中R8是烷基或类似物）；n是0到5的整数；X和Y分别是连接键，环烷基或-CO-；Q是氢原子或苯基。

  公开号：

  US08685989B2

文献信息

• NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME
  申请人：Takemoto Naohiro

  公开号：US20100130739A1

  公开（公告）日：2010-05-27

  Provided is a compound that has the ability to promote axonal outgrowth in combination with the ability to promote angiogenesis and can therefore be used to reduce central nerve injuries such as head injury and spinal cord injury, cerebral infarction, ischemic heart diseases such as myocardial infarction and organic angina, peripheral arterial occlusive diseases such as critical limb ischemia, or after-effects of these diseases. Specifically, the compound is represented by the following formula (I): in which Nx group is preferably a 6-membered aromatic ring containing two nitrogen atoms; R 0 , R 1 and R 2 are each independently a hydrogen atom, an alkyl group, an amino group or the like; E is an oxygen atom or an —NR 8 group (wherein R 8 is an alkyl group or the like); n is an integer of 0 to 5; X and Y are each a connecting bond, a cycloalkyl group, —CO— or the like; and Q is a hydrogen atom or a phenyl group.

  提供的是一种化合物，具有促进轴突生长和促进血管生成的能力，因此可用于减少中枢神经损伤，如头部损伤和脊髓损伤，脑梗死，缺血性心脏病，如心肌梗死和器质性心绞痛，周围动脉闭塞性疾病，如严重肢体缺血或这些疾病的后遗症。具体而言，该化合物由以下公式（I）表示： 其中，Nx基团最好是含有两个氮原子的6元芳香环；R0、R1和R2分别独立地是氢原子、烷基、氨基或类似物；E是氧原子或—NR8基团（其中，R8是烷基或类似物）；n是0到5的整数；X和Y分别是连接键、环烷基、—CO—或类似物；Q是氢原子或苯基。
• NITROGENATED AROMATIC 6-MEMBERED RING DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE SAME
  申请人：Asubio Pharma Co., Ltd.

  公开号：EP2151439A1

  公开（公告）日：2010-02-10

  Provided is a compound that has the ability to promote axonal outgrowth in combination with the ability to promote angiogenesis and can therefore be used to reduce central nerve injuries such as head injury and spinal cord injury, cerebral infarction, ischemic heart diseases such as myocardial infarction and organic angina, peripheral arterial occlusive diseases such as critical limb ischemia, or after-effects of these diseases. Specifically, the compound is represented by the following formula (I): in which Nx group is preferably a 6-membered aromatic ring containing two nitrogen atoms; R0, R1 and R2 are each independently a hydrogen atom, an alkyl group, an amino group or the like; E is an oxygen atom or an -NR8 group (wherein R8 is an alkyl group or the like); n is an integer of 0 to 5; X and Y are each a connecting bond, a cycloalkyl group, -CO- or the like; and Q is a hydrogen atom or a phenyl group.

  本发明提供了一种化合物，该化合物具有促进轴突生长的能力和促进血管生成的能力，因此可用于减轻中枢神经损伤（如头部损伤和脊髓损伤）、脑梗塞、缺血性心脏病（如心肌梗塞和器质性心绞痛）、外周动脉闭塞性疾病（如危重肢体缺血）或这些疾病的后遗症。具体来说，该化合物由下式（I）表示： 其中 Nx 基团优选为含有两个氮原子的 6 元芳香环；R0、R1 和 R2 各自独立地为氢原子、烷基、氨基或类似基团；E 为氧原子或 -NR8 基团（其中 R8 为烷基或类似基团）；n 为 0 至 5 的整数；X 和 Y 各自为连接键、环烷基、-CO- 或类似基团；Q 为氢原子或苯基。
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  公开号：US8592435B2

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