methyl (2S)-3-cyclopropyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate | 220416-58-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl (2S)-3-cyclopropyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
• CAS: 220416-58-0
• 化学式: C₁₃H₂₃NO₄
• 分子量: 257.33
• InChiKey: QDVSDUBQAIDKDW-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl (2S)-3-cyclopropyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  Depeptidization efforts on α-ketoamide inhibitors of HCV NS3-4A serine protease: Effect on HCV replicon activity

  摘要：

  Depeptidization efforts of the P-3-P-2 region of P-3 capped alpha-ketoamide inhibitor of HCV NS3 serine protease I are reported. We clearly established that N-methylation of the P-2 nitrogen and modification of the P-2' carboxylic acid terminus were essential for activity in the replicon assay. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.013
• 作为产物：
  描述：

  BOC-L-环丙基丙氨酸-DCHA 在 sodium hydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成 methyl (2S)-3-cyclopropyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
  参考文献：
  名称：

  Depeptidization efforts on α-ketoamide inhibitors of HCV NS3-4A serine protease: Effect on HCV replicon activity

  摘要：

  Depeptidization efforts of the P-3-P-2 region of P-3 capped alpha-ketoamide inhibitor of HCV NS3 serine protease I are reported. We clearly established that N-methylation of the P-2 nitrogen and modification of the P-2' carboxylic acid terminus were essential for activity in the replicon assay. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.013

文献信息

• Anthelmintic depsipeptide compounds
  申请人：BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC.

  公开号：US11230571B2

  公开（公告）日：2022-01-25

  The present invention provides cyclic depsipeptide compounds of formula (I) and compositions comprising the compounds that are effective against parasites that harm animals, including humans. The compounds and compositions may be used for combating parasites in or on animals including mammals and birds. The invention also provides for an improved method for eradicating, controlling and preventing parasite infestation in animals, including birds and mammals.

  本发明提供了式(I)的环状去肽化合物和含有该化合物的组合物，它们能有效地防治危害动物（包括人类）的寄生虫。这些化合物和组合物可用于防治包括哺乳动物和鸟类在内的动物体内或身上的寄生虫。本发明还提供了一种根除、控制和预防动物（包括鸟类和哺乳动物）体内寄生虫侵扰的改进方法。
• ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS
  申请人：BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC.

  公开号：US20190248840A1

  公开（公告）日：2019-08-15

  The present invention provides cyclic depsipeptide compounds of formula (I) and compositions comprising the compounds that are effective against parasites that harm animals, including humans. The compounds and compositions may be used for combating parasites in or on animals including mammals and birds. The invention also provides for an improved method for eradicating, controlling and preventing parasite infestation in animals, including birds and mammals.