MAC-0549481 | 951542-68-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: MAC-0549481
• 英文别名: N-(2-chlorobenzyl)-1'H-spiro[piperidine-4,2'-quinoxalin]-3'-amine；N-(2-Chlorobenzyl)-1'H-spiro[piperidine-4,2'-quinoxalin]-3'-amine；N-[(2-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
• CAS: 951542-68-0
• 化学式: C₁₉H₂₁ClN₄
• mdl: MFCD14281800
• 分子量: 340.856
• InChiKey: NSVOREQCWCWHCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  48.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-chloro-2-(isocyanomethyl)benzene 、 N-叔丁氧羰基-4-哌啶酮 、 邻苯二胺 在 三甲基氯硅烷 、 盐酸 作用下， 以 二氯甲烷 、 乙腈 、 乙醇 、 乙酸乙酯 为溶剂， 反应 8.0h， 以75%的产率得到MAC-0549481
  参考文献：
  名称：

  合成 2-氨基-1,4-二氮杂杂环的通用多组分策略：范围、限制和效用

  摘要：

  描述了伯 1,2-和 1,3-二胺与羰基化合物和异氰化物的多组分反应，导致形成不同的 2-氨基-1,4-二氮杂环。路易斯酸 (LA) 可有效促进反应，并且已发现三甲基氯硅烷 (TMSCl) 是首选的促进剂。评估和讨论了与每个组分有关的反应的范围和限制。已详细阐述了合成杂环的 IMCR 后修饰。

  DOI：

  10.1002/ejoc.200901360

文献信息

• [EN] SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH<br/>[FR] DÉRIVÉS DE SPIROQUINOXALINE EN TANT QU'INHIBITEURS DE LA MORT CELLULAIRE RÉGULÉE NON APOPTOTIQUE
  申请人：HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT GMBH

  公开号：WO2015007730A1

  公开（公告）日：2015-01-22

  The present invention relates to compounds which are inhibitors of non-apoptotic regulated cell death, and to pharmaceutical compositions containing such compounds. Furthermore, the present invention relates to the use of such compounds and pharmaceutical compositions in therapy, in particular in the treatment of a condition, disorder or disease that is characterised by non-apoptotic regulated cell-death or where non-apoptotic regulated cell-death is likely to play or plays a substantial role. The compounds and pharmaceutical compositions described herein are also useful in the treatment of a condition, disorder or disease that is characterised by oxidative stress or where oxidative stress is likely to play or plays a substantial role; and/or a condition, disorder or disease that is characterised by activation of (1) one or more components of the necrosome; (2) death domain receptors; and/or (3) Toll-like receptors; and/or (4) players in ferroptotic/ferroptosis signalling, or where activation of any one of (1) to (3) and/or (4) is likely to play or plays a substantial role.

  本发明涉及抑制非凋亡调节细胞死亡的化合物，以及包含这些化合物的制药组合物。此外，本发明还涉及这些化合物和制药组合物在治疗中的应用，特别是在治疗由非凋亡调节细胞死亡特征化的疾病、疾病或疾病中，或者在非凋亡调节细胞死亡可能发挥或发挥重要作用的情况下。本文描述的化合物和制药组合物还可用于治疗由氧化应激特征化的疾病、疾病或疾病，或者氧化应激可能发挥或发挥重要作用的情况；和/或由（1）一个或多个死亡体受体的成分；（2）死亡结构域受体；和/或（3）Toll样受体的激活；和/或（4）铁死亡/铁死亡信号通路中的参与者的特征化，或者激活（1）至（3）和/或（4）中的任何一个可能发挥或发挥重要作用的情况。
• Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death
  申请人：Helmholtz Zentrum Munchen—Deutches Forschungszentrum Fur Gesundheit und Umwelt

  公开号：US10280179B2

  公开（公告）日：2019-05-07

  The present invention relates to compounds which are inhibitors of non-apoptotic regulated cell death, and to pharmaceutical compositions containing such compounds. Furthermore, the present invention relates to the use of such compounds and pharmaceutical compositions in therapy, in particular in the treatment of a condition, disorder or disease that is characterized by non-apoptotic regulated cell-death or where non-apoptotic regulated cell-death is likely to play or plays a substantial role. The compounds and pharmaceutical compositions described herein are also useful in the treatment of a condition, disorder or disease that is characterized by oxidative stress or where oxidative stress is likely to play or plays a substantial role; and/or a condition, disorder or disease that is characterized by activation of (1) one or more components of the necrosome; (2) death domain receptors; and/or (3) Toll-like receptors; and/or (4) players in ferroptotic/ferroptosis signalling, or where activation of any one of (1) to (3) and/or (4) is likely to play or plays a substantial role.

  本发明涉及作为非凋亡调节细胞死亡抑制剂的化合物，以及含有此类化合物的药物组合物。此外，本发明还涉及此类化合物和药物组合物在治疗中的用途，特别是在治疗以非凋亡调节性细胞死亡为特征或非凋亡调节性细胞死亡可能起或起重要作用的病症、紊乱或疾病中的用途。本文所述的化合物和药物组合物还可用于治疗以氧化应激为特征的病症、紊乱或疾病，或氧化应激可能起作用或起重要作用的病症、紊乱或疾病；和/或以（1）坏死体的一种或多种成分；（2）死亡结构域受体；和/或（3）Toll 样受体；和/或（4）铁凋亡/铁变态反应信号的激活为特征的病症、紊乱或疾病，或（1）至（3）和/或（4）中的任何一种激活可能起或起重要作用的病症、紊乱或疾病。
• Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death
  申请人：Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH)

  公开号：US10647687B2

  公开（公告）日：2020-05-12

  The present invention relates to spiropyrazine compounds which are inhibitors of non-apoptotic regulated cell death, and to pharmaceutical compositions containing such compounds. Furthermore, the present invention relates to the use of such compounds and pharmaceutical compositions in therapy, in particular in the treatment of a condition, disorder or disease that is characterised by non-apoptotic regulated cell-death or where non-apoptotic regulated cell-death is likely to play or plays a substantial role. The compounds and pharmaceutical compositions described herein are also useful in the treatment of a condition, disorder or disease that is characterised by oxidative stress or where oxidative stress is likely to play or plays a substantial role; and/or a condition, disorder or disease that is characterised by activation of (1) one or more components of the necrosome; (2) death domain receptors; and/or (3) Toll-like receptors; and/or (4) players in ferroptotic/ferroptosis signalling, or where activation of any one of (1) to (3) and/or (4) is likely to play or plays a substantial role.

  本发明涉及作为非凋亡调节细胞死亡抑制剂的螺吡嗪化合物，以及含有此类化合物的药物组合物。此外，本发明还涉及此类化合物和药物组合物在治疗中的用途，特别是在治疗以非凋亡调节性细胞死亡为特征或非凋亡调节性细胞死亡可能起作用或起重要作用的病症、紊乱或疾病中的用途。本文所述的化合物和药物组合物还可用于治疗以氧化应激为特征的病症、紊乱或疾病，或氧化应激可能起作用或起重要作用的病症、紊乱或疾病；和/或(1)坏死体的一种或多种成分；(2)死亡结构域受体；和/或(3)Toll 样受体；和/或(4)铁变态反应/铁变态反应信号的参与者，或(1)至(3)和/或(4)中任何一种的激活可能起或起重要作用的情况、紊乱或疾病。
• SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH
  申请人：HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH)

  公开号：US20160222025A1

  公开（公告）日：2016-08-04

  The present invention relates to compounds which are inhibitors of non-apoptotic regulated cell death, and to pharmaceutical compositions containing such compounds. Furthermore, the present invention relates to the use of such compounds and pharmaceutical compositions in therapy, in particular in the treatment of a condition, disorder or disease that is characterised by non-apoptotic regulated cell-death or where non-apoptotic regulated cell-death is likely to play or plays a substantial role. The compounds and pharmaceutical compositions described herein are also useful in the treatment of a condition, disorder or disease that is characterised by oxidative stress or where oxidative stress is likely to play or plays a substantial role; and/or a condition, disorder or disease that is characterised by activation of (1) one or more components of the necrosome; (2) death domain receptors; and/or (3) Toll-like receptors; and/or (4) players in ferroptotic/ferroptosis signalling, or where activation of any one of (1) to (3) and/or (4) is likely to play or plays a substantial role.
• US9802956B2
  申请人：——

  公开号：US9802956B2

  公开（公告）日：2017-10-31