4-(4-{[amino(2-thienyl)methylidene]amino}phenyl)-N-[4-(1,2-dithiolan-3-yl)butyl]-1-piperazinecarboxamide | 361345-17-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(4-{[amino(2-thienyl)methylidene]amino}phenyl)-N-[4-(1,2-dithiolan-3-yl)butyl]-1-piperazinecarboxamide
• 英文别名: 4-(4-{[amino(thien-2-yl)methylidene]amino}phenyl)-N-[4-(1,2-dithiolan-3-yl)butyl]-1-piperazinecarboxamide；4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-[4-(dithiolan-3-yl)butyl]piperazine-1-carboxamide
• CAS: 361345-17-7
• 化学式: C₂₃H₃₁N₅OS₃
• 分子量: 489.73
• InChiKey: LMSCEVQXXXESCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  153
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Novel lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines
  申请人：——

  公开号：US20030105107A1

  公开（公告）日：2003-06-05

  A subject of the invention is new heterocyclic or benzenic derivatives comprising a lateral chain derived from lipoic acid, which have an inhibitory activity on NO-synthase enzymes producing nitrogen monoxide NO and/or are agents allowing the regeneration of antioxidants or entities trapping the reactive oxygen species (ROS) and which intervene in a more general manner in the redox status of thiol groups. A subject of the invention is also their preparation methods, the pharmaceutical preparations containing them and their use for therapeutic purposes, in particular their use as inhibitors of NO-synthases and/or as agents which intervene in a more general manner in the redox status of thiol groups.

  本发明的一个主题是新的含有来自硫辛酸的侧链的杂环或苯基衍生物，具有对产生一氧化氮NO的NO合酶酶的抑制活性和/或是允许再生抗氧化剂或捕获活性氧种(ROS)的实体的药剂，这些实体更一般地干预巯基的氧化还原状态。本发明的一个主题还包括它们的制备方法、含有它们的制药制剂以及它们用于治疗目的的用途，特别是它们作为NO合酶的抑制剂和/或作为更一般地干预巯基氧化还原状态的实体的用途。
• New heterocyclic or benzenic derivatives of lipoic acid, their preparation and their use as medicaments
  申请人：Harnett Jeremiah

  公开号：US20050227991A1

  公开（公告）日：2005-10-13

  A subject of the invention is new heterocyclic or benzenic derivatives comprising a lateral chain derived from lipoic acid, which have an inhibitory activity on NO-synthase enzymes producing nitrogen monoxide NO and/or are agents allowing the regeneration of antioxidants or entities trapping the reactive oxygen species (ROS) and which intervene in a more general manner in the redox status of thiol groups. A subject of the invention is also their preparation methods, the pharmaceutical preparations containing them and their use for therapeutic purposes, in particular their use as inhibitors of NO-synthases and/or as agents which intervene in a more general manner in the redox status of thiol groups.

  本发明的主题是新的杂环或苯环衍生物，包括一个来自硫辛酸的侧链，具有对生成一氧化氮(NO)的NO合酶酶有抑制作用和/或是允许抗氧化剂或捕获反应性氧化物种(ROS)的实体再生的作用，并且以更一般的方式干预硫基团的氧化还原状态。本发明的主题还包括它们的制备方法、包含它们的药物制剂以及它们作为治疗用途的使用，特别是作为NO合酶酶抑制剂和/或以更一般的方式干预硫基团的氧化还原状态的药剂的使用。
• NOUVEAUX DERIVES HETEROCYCLIQUES OU BENZENIQUES DE L'ACIDE LIPOIQUE, LEUR PREPARATION ET LEUR APPLICATION A TITRE DE MEDICAMENTS
  申请人：SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.)

  公开号：EP1265891B1

  公开（公告）日：2004-12-29
• US6936715B2
  申请人：——

  公开号：US6936715B2

  公开（公告）日：2005-08-30
• US7285664B2
  申请人：——

  公开号：US7285664B2

  公开（公告）日：2007-10-23