3-(3-n-Butylureido)-N-(6-methyl-pyridin-2-yl)benzamide | 87056-12-0

• 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: 3-(3-n-Butylureido)-N-(6-methyl-pyridin-2-yl)benzamide
• 英文别名: 3-(3-n-Butylureido)-N-(6-methyl-2-pyridyl)benzamide；3-(butylcarbamoylamino)-N-(6-methylpyridin-2-yl)benzamide
• CAS: 87056-12-0
• 化学式: C₁₈H₂₂N₄O₂
• 分子量: 326.398
• InChiKey: CWQBADWQEIRRBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  83.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(3-n-Butylureido)-N-(6-methyl-pyridin-2-yl)benzamide 、 N-乙酰-L-脯氨酸 以 氘代氯仿 为溶剂， 生成 3-(3-Butyl-ureido)-N-(6-methyl-pyridin-2-yl)-benzamide; compound with (S)-1-acetyl-pyrrolidine-2-carboxylic acid
  参考文献：
  名称：

  Molecular recognition: directed hydrogen bonding receptors for acylamino acid carboxylates

  摘要：

  A new series of receptors for acylamino acid carboxylates has been synthesized and shown to have increased binding affinity for the substrate as the number of hydrogen bonding groups in the cavity increases.

  DOI：

  10.1016/s0040-4039(00)74235-3
• 作为产物：
  描述：

  N-(6-甲基吡啶-2-基)-3-硝基苯甲酰胺 在 titanium(III) chloride 作用下， 以 四氢呋喃 为溶剂， 生成 3-(3-n-Butylureido)-N-(6-methyl-pyridin-2-yl)benzamide
  参考文献：
  名称：

  Molecular recognition: directed hydrogen bonding receptors for acylamino acid carboxylates

  摘要：

  A new series of receptors for acylamino acid carboxylates has been synthesized and shown to have increased binding affinity for the substrate as the number of hydrogen bonding groups in the cavity increases.

  DOI：

  10.1016/s0040-4039(00)74235-3

文献信息

• Benzamide derivatives, a process for preparing the same, and pharmaceutical compositions containing the same
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP0077534A2

  公开（公告）日：1983-04-27

  Benzamide derivatives of the formula: wherein R, is a hydrogen atom, a methyl group of a methoxy group; R2 is a straight-chain or branched-chain alkyl group having 2 to 8 carbon atoms, a substituted phenyl group, or group -NHR4, R4 being a hydrogen atom, a straight-chain or branched-chain or cyclic alkyl group having 1 to 6 carbon atoms, or a phenyl group that may have a substituent on the nucleus; R3 is a hydrogen atom or one or two alkyl groups having 1 to 4 carbon atoms and n is 0 or 1, a process for preparing these derivatives, and pharmaceutical compositions containing the same are provided. The compounds of the above formula has the action to reduce the blood glucose level and, therefore, are useful as medicines.

  式中的苯甲酰胺衍生物： 其中R，是氢原子、甲基或甲氧基；R2是具有2至8个碳原子的直链或支链烷基、取代的苯基或基团-NHR4，R4是氢原子、具有1至6个碳原子的直链或支链或环状烷基或在核上可能具有取代基的苯基；R3 是氢原子或一个或两个具有 1 至 4 个碳原子的烷基，n 是 0 或 1，提供了制备这些衍生物的工艺和含有这些衍生物的药物组合物。 上式化合物具有降低血糖水平的作用，因此可用作药物。
• US4500714A
  申请人：——

  公开号：US4500714A

  公开（公告）日：1985-02-19
• Molecular recognition: directed hydrogen bonding receptors for acylamino acid carboxylates
  作者：Cristina Vicent、Erkang Fan、Andrew D. Hamilton

  DOI：10.1016/s0040-4039(00)74235-3

  日期：1992.7

  A new series of receptors for acylamino acid carboxylates has been synthesized and shown to have increased binding affinity for the substrate as the number of hydrogen bonding groups in the cavity increases.