tert-butyl N-[N'-[4-[(4-methoxybenzoyl)amino]butyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-(3-methylbut-2-enyl)carbamate | 365568-13-4

• 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: tert-butyl N-[N'-[4-[(4-methoxybenzoyl)amino]butyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-(3-methylbut-2-enyl)carbamate
• CAS: 365568-13-4
• 化学式: C₂₈H₄₄N₄O₆
• 分子量: 532.681
• InChiKey: FCCHFIPFEZBPRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  38
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[N'-[4-[(4-methoxybenzoyl)amino]butyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-(3-methylbut-2-enyl)carbamate 在 甲烷磺酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 4-methoxy-N-[4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butyl]benzamide
  参考文献：
  名称：

  Synthesis and preliminary pharmacological evaluation of analogues of caracasanamide, a hypotensive natural product

  摘要：

  Some analogues of the hypotensive agent caracasanamide have been synthesized and tested in vivo for cardiovascular effects. Derivative 2c emerged as the most interesting compound in the series. Structure-activity relationship is also discussed.

  DOI：

  10.1016/0960-894x(96)00079-0
• 作为产物：
  描述：

  N,N'-bis(tert-butoxycarbonyl)-N-(γ,γ-dimethylallyl)-S-methylisothiourea 在 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 tert-butyl N-[N'-[4-[(4-methoxybenzoyl)amino]butyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-(3-methylbut-2-enyl)carbamate
  参考文献：
  名称：

  Synthesis and preliminary pharmacological evaluation of analogues of caracasanamide, a hypotensive natural product

  摘要：

  Some analogues of the hypotensive agent caracasanamide have been synthesized and tested in vivo for cardiovascular effects. Derivative 2c emerged as the most interesting compound in the series. Structure-activity relationship is also discussed.

  DOI：

  10.1016/0960-894x(96)00079-0

文献信息

• Synthesis and preliminary pharmacological evaluation of analogues of caracasanamide, a hypotensive natural product
  作者：Federico Corelli、Donata Dei、Giuliano Delle Monache、Bruno Botta、Carlo De Luca、Marco Carmignani、Anna Rita Volpe、Maurizio Botta

  DOI：10.1016/0960-894x(96)00079-0

  日期：1996.3

  Some analogues of the hypotensive agent caracasanamide have been synthesized and tested in vivo for cardiovascular effects. Derivative 2c emerged as the most interesting compound in the series. Structure-activity relationship is also discussed.