(S)-N-(1-hydroxy-4-methylpentan-2-yl)-4-isobutyl-6-(4-methylpiperazine-1-carbonyl)pyridazine-3-carboxamide | 949913-68-2

• 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: (S)-N-(1-hydroxy-4-methylpentan-2-yl)-4-isobutyl-6-(4-methylpiperazine-1-carbonyl)pyridazine-3-carboxamide
• CAS: 949913-68-2
• 化学式: C₂₁H₃₅N₅O₃
• 分子量: 405.541
• InChiKey: IARDYDCYERYCBQ-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  29.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  98.66
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (S)-N-(1-hydroxy-4-methylpentan-2-yl)-4-isobutyl-6-(4-methylpiperazine-1-carbonyl)pyridazine-3-carboxamide 在 戴斯-马丁氧化剂 作用下， 生成
  参考文献：
  名称：

  Heterocyclic α-helix mimetics for targeting protein–protein interactions

  摘要：

  The design and synthesis of alpha-helix peptidomimetics using inverse electron demand Diels-Alder reactions is described. The potency of the resulting pyridazine-based library to disrupt the Bak/Bcl-X-L interaction was tested using an in vitro fluorescence polarization assay. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.075
• 作为产物：
  描述：

  在 氢气 、 sodium nitrite 作用下， 生成 (S)-N-(1-hydroxy-4-methylpentan-2-yl)-4-isobutyl-6-(4-methylpiperazine-1-carbonyl)pyridazine-3-carboxamide
  参考文献：
  名称：

  Heterocyclic α-helix mimetics for targeting protein–protein interactions

  摘要：

  The design and synthesis of alpha-helix peptidomimetics using inverse electron demand Diels-Alder reactions is described. The potency of the resulting pyridazine-based library to disrupt the Bak/Bcl-X-L interaction was tested using an in vitro fluorescence polarization assay. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.075