4-(3-isocyanatophenyl)morpholine | 1275548-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 4-(3-isocyanatophenyl)morpholine
• 英文别名: 4-(3-Isocyanatophenyl)morpholine
• CAS: 1275548-98-5
• 化学式: C₁₁H₁₂N₂O₂
• 分子量: 204.228
• InChiKey: WQQVQUQZXFKHLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2-苯并异噻唑-3-酮 、 4-(3-isocyanatophenyl)morpholine 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 N-(3-morpholinophenyl)-3-oxobenzo[d]isothiazole-2(3H)-carboxamide
  参考文献：
  名称：

  1,2-Benzisothiazol-3-one derivatives as a novel class of small-molecule caspase-3 inhibitors

  摘要：

  A novel series of 1,2-benzisothiazol-3-one derivatives was synthesized and their biological activities were evaluated for inhibiting caspase-3 and -7 activities, in which some of them showed low nanomolar potency against caspase-3 in vitro and significant protection against apoptosis in a camptothecin-induced Jurkat T cells system. Among the tested compounds, compound 5i exhibited the most potent caspase-3 inhibitory activity (IC50 = 1.15 nM). The molecular docking predicted the interactions and binding modes of the synthesized inhibitor in the caspase-3 active site. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.03.002
• 作为产物：
  描述：

  三光气 、 3-(4-吗啉基)苯胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 4-(3-isocyanatophenyl)morpholine
  参考文献：
  名称：

  1,2-Benzisothiazol-3-one derivatives as a novel class of small-molecule caspase-3 inhibitors

  摘要：

  A novel series of 1,2-benzisothiazol-3-one derivatives was synthesized and their biological activities were evaluated for inhibiting caspase-3 and -7 activities, in which some of them showed low nanomolar potency against caspase-3 in vitro and significant protection against apoptosis in a camptothecin-induced Jurkat T cells system. Among the tested compounds, compound 5i exhibited the most potent caspase-3 inhibitory activity (IC50 = 1.15 nM). The molecular docking predicted the interactions and binding modes of the synthesized inhibitor in the caspase-3 active site. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.03.002

文献信息

• 一种4-脲基嘧啶类化合物及其用途
  申请人：湖北民族大学

  公开号：CN112375069B

  公开（公告）日：2022-09-13

  本发明涉及一类取代的4‑脲基嘧啶类化合物及其用途，进一步涉及包含所述取代的4‑脲基嘧啶类化合物的药物组合物及其用途；所述取代的4‑脲基嘧啶类化合物或药物组合物可抑制IDH2。本发明提供下式I所示的化合物、其立体异构体、其互变异构体、其溶剂合物、其水合物或其药学上可接受的盐。所述化合物具有良好的IDH2抑制活性，具有较好的临床潜在应用价值。
• ORGANIC PHOTOELECTRIC CONVERSION ELEMENT AND ORGANIC SOLAR CELL EMPLOYING SAME
  申请人：Konica Minolta, Inc.

  公开号：EP2744005B1

  公开（公告）日：2016-07-13
• 1,2-Benzisothiazol-3-one derivatives as a novel class of small-molecule caspase-3 inhibitors
  作者：Lixin Wu、Meiqi Lu、Zhihui Yan、Xiaobin Tang、Bo Sun、Wei Liu、Honggang Zhou、Cheng Yang

  DOI：10.1016/j.bmc.2014.03.002

  日期：2014.4

  A novel series of 1,2-benzisothiazol-3-one derivatives was synthesized and their biological activities were evaluated for inhibiting caspase-3 and -7 activities, in which some of them showed low nanomolar potency against caspase-3 in vitro and significant protection against apoptosis in a camptothecin-induced Jurkat T cells system. Among the tested compounds, compound 5i exhibited the most potent caspase-3 inhibitory activity (IC50 = 1.15 nM). The molecular docking predicted the interactions and binding modes of the synthesized inhibitor in the caspase-3 active site. (C) 2014 Elsevier Ltd. All rights reserved.