nec-1s

• 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: nec-1s
• 英文别名: Cl-Necrostatin-1；5-[(7-chloro-1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
• 化学式: C₁₃H₁₂ClN₃OS
• 分子量: 293.777
• InChiKey: OKOAUGRWEJDVCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  80.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  7-氯吲哚 在 N-甲基吗啉 、 DL-dithiothreitol 、 三氯氧磷 作用下， 反应 7.5h， 生成 nec-1s
  参考文献：
  名称：

  DUAL-INHIBITORS OF CELLULAR NECROPTOSIS AND FERROPTOSIS FOR USE IN THE TREATMENT OF ORGAN TRANSPLANT PATIENTS

  摘要：

  本发明涉及用作药物物质的化合物，用于预防器官移植排斥和/或移植器官损伤。在本发明实施例中，该化合物抑制和/或减少移植器官细胞的铁死亡和坏死程序。在进一步的实施例中，患者存在器官移植排斥的风险和/或存在缺血再灌注损伤和/或坏死性炎症的风险或表现出这些症状。

  公开号：

  EP3875086A1

文献信息

• Inhibitors of cellular necrosis
  申请人：Cuny D. Gregory

  公开号：US20050119260A1

  公开（公告）日：2005-06-02

  The present invention relates to compounds and pharmaceutical preparations and their use in therapy for preventing or treating trauma, ischemia, stroke and degenerative diseases associated with cell death. Methods and compositions of the invention are particularly useful for treating neurological disorders associated with cellular necrosis.

  本发明涉及化合物、药物制剂及其在预防或治疗与细胞死亡相关的创伤、缺血、中风和退行性疾病中的应用的治疗。本发明的方法和组合物特别适用于治疗与细胞坏死相关的神经系统疾病。
• IDENTIFICATION AND TREATMENT OF VULNERABLE PLAQUES
  申请人：OTTAWA HEART INSTITUTE RESEARCH CORPORATION

  公开号：US20160324992A1

  公开（公告）日：2016-11-10

  A method of detecting an atherosclerotic plaque vulnerable to rupture in a subject comprises providing to the subject a labelled necrostatin or a derivative thereof, and visualizing the label, wherein a localization of the label in a plaque indicates the plaque is vulnerable to rupture. A method of detecting and treating an atherosclerotic plaque vulnerable to rupture comprises providing to the subject a labelled necrostatin or a derivative thereof, visualizing the label, wherein a localization of the label in a plaque indicates the plaque is vulnerable to rupture; and providing a necroptosis inhibitor or derivative thereof to the subject when the visualizing indicates that the plaque is vulnerable to rupture. The necroptosis inhibitor may comprise a necrostatin, such as Nec-1. The label may be a radiolabel such as 123 I. By visualizing plaques vulnerable to rupture, atherosclerotic plaques may be identified and treated in advance of rupture.

  在一个主体中检测易破裂的动脉粥样硬化斑块的方法包括向主体提供标记的坏死激酶抑制剂或其衍生物，并可视化标记，标记在斑块中的定位表明该斑块易破裂。检测和治疗易破裂的动脉粥样硬化斑块的方法包括向主体提供标记的坏死激酶抑制剂或其衍生物，可视化标记，标记在斑块中的定位表明该斑块易破裂；当可视化表明斑块易破裂时，向主体提供坏死激酶抑制剂或其衍生物。坏死激酶抑制剂可能包括坏死激酶，如Nec-1。标记可以是放射性标记，如123I。通过可视化易破裂的斑块，可以提前识别和治疗动脉粥样硬化斑块。
• DUAL-INHIBITORS OF CELLULAR NECROPTOSIS AND FERROPTOSIS FOR USE IN THE TREATMENT OF ORGAN TRANSPLANT PATIENTS
  申请人：Technische Universität Dresden

  公开号：EP3875086A1

  公开（公告）日：2021-09-08

  The invention relates to chemical compounds for use as a medicament in the prevention of organ transplant rejection and/or transplant organ damage. In embodiments of the invention, the compound inhibits and/or reduces ferroptosis and necroptosis of cells of the transplanted organ. In further embodiments, the patient is at risk of transplant rejection and/or is at risk of or shows signs of ischemia-reperfusion injury and/or necroinflammation.

  本发明涉及用作药物物质的化合物，用于预防器官移植排斥和/或移植器官损伤。在本发明实施例中，该化合物抑制和/或减少移植器官细胞的铁死亡和坏死程序。在进一步的实施例中，患者存在器官移植排斥的风险和/或存在缺血再灌注损伤和/或坏死性炎症的风险或表现出这些症状。
• Compounds, Screens, and Methods of Treatment
  申请人：Yuan Junying

  公开号：US20100190836A1

  公开（公告）日：2010-07-29

  The present invention features compounds, pharmaceutical compositions, and methods for treating trauma, ischemia, stroke, degenerative diseases associated with cellular necrosis, and other conditions. Screening assays for identifying compounds useful for treating these conditions are also described.

  本发明涉及化合物、药物组合物和治疗创伤、缺血、中风、与细胞坏死相关的退行性疾病以及其他疾病的方法。还描述了用于识别治疗这些疾病的化合物的筛选测定方法。
• INHIBITORS OF CELLULAR NECROSIS
  申请人：Cuny Gregory D.

  公开号：US20120149702A1

  公开（公告）日：2012-06-14

  The present invention relates to compounds and pharmaceutical preparations and their use in therapy for preventing or treating trauma, ischemia, stroke and degenerative diseases associated with cell death. Methods and compositions of the invention are particularly useful for treating neurological disorders associated with cellular necrosis.

  本发明涉及化合物和药物制剂及其在预防或治疗与细胞死亡相关的创伤、缺血、中风和退行性疾病中的应用。本发明的方法和组合物特别适用于治疗与细胞坏死相关的神经系统疾病。