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(2-nitrophenylimino)indolin-2-one | 78662-37-0

中文名称
——
中文别名
——
英文名称
(2-nitrophenylimino)indolin-2-one
英文别名
(3Z)-3-[(2-nitrophenyl)imino]-1,3-dihydro-2H-indol-2-one;3-(2-nitrophenyl)imino-1H-indol-2-one
(2-nitrophenylimino)indolin-2-one化学式
CAS
78662-37-0
化学式
C14H9N3O3
mdl
——
分子量
267.244
InChiKey
CGGOVWJDISNQMI-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    198-199 °C(Solv: ethanol (64-17-5))
  • 密度:
    1.44±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2.4
  • 重原子数:
    20
  • 可旋转键数:
    1
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    87.3
  • 氢给体数:
    1
  • 氢受体数:
    4

反应信息

  • 作为反应物:
    描述:
    (2-nitrophenylimino)indolin-2-onesodium acetate溶剂黄146 作用下, 以 1,4-二氧六环 为溶剂, 反应 3.0h, 生成
    参考文献:
    名称:
    Sahu; Mishra; Banerjee, Journal of the Indian Chemical Society, 2006, vol. 83, # 7, p. 725 - 727
    摘要:
    DOI:
  • 作为产物:
    描述:
    2-羟基亚氨基-n-苯乙酰胺硫酸溶剂黄146 作用下, 以 乙醇 为溶剂, 反应 0.17h, 生成 (2-nitrophenylimino)indolin-2-one
    参考文献:
    名称:
    新型螺[azetidine-2,3'-吲哚] -2,4(1'H)-二酮的设计,合成及体外抑菌和抗真菌活性
    摘要:
    本研究涉及由3-(苯基亚氨基)-1,3-二氢-2H反应合成新型螺[氮杂环丁烷-2,3'-吲哚] -2',4(1'H)-二酮衍生物在三乙胺(TEA)存在下,用氯乙酰氯合成-indol-2-one衍生物。所有化合物均使用IR,1 H-NMR,MS和元素分析进行了表征。筛选它们的抗菌和抗真菌活性。所使用的细菌菌株是革兰氏阳性金黄色葡萄球菌(MTCC-96)和革兰氏阴性大肠杆菌(MTCC-521)和铜绿假单胞菌(MTCC-647)。在白色念珠菌(MTCC-183)和黑曲霉上进行了抗真菌筛选(MTCC-343)真菌菌株。结果表明,化合物(7a),(7b),(7c),(7d)和(7e)表现出非常好的活性,对三种评估的细菌菌株的MIC值为6.25-12.5μg/ ml,其余化合物显示出良好的活性。具有中等水平的活性,可与标准药物作为抗菌剂相比。化合物(7c)和(7h)与标准药物相比具有同等的抗真菌活性。
    DOI:
    10.1007/s00044-010-9354-x
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文献信息

  • Synthesis and Evaluation of Isatin Schiff Bases Against Plant Pathogens Validated Through Aspartyl Protease and Acetylcholine Binding Proteins Docked Studies
    作者:Shivani Loomba、Divya Utreja、Komalpreet Kaur、Jaspal Kaur、Shivali Sharma、Narpinderjit K. Dhillon、Rajesh K. Pathak
    DOI:10.2174/1570178618666210610160546
    日期:2021.12
    <p>Schiff bases of isatin were synthesized by reacting isatin with substituted aromatic amines and were characterized by UV-Visible, 1HNMR, 13CNMR, IR and micro analytical data. All the synthesized isatin Schiff bases were screened in vitro against wheat pathogenic fungi Bipolaris sorokiniana, Alternaria triticina using spore inhibition technique and brinjal parasite- Meloidogyne incognita by egg hatch inhibition and J2 mortality. The in vitro study and docking simulation studies revealed that the 3-(2, 4, 5-trichlorophenylimino) indolin-2-one 6f and 3-(2, 4- dinitrophenylimino) indolin-2-one 6c substituted with tri-halogen and dinitro electron withdrawing groups were found to be promising antipathogenic candidates. The possible binding interactions of tested compounds with Aspartyl protease and Acetylcholine binding proteins were analyzed through molecular docking.</p> </sec></div> <div class="value-text ch">本研究通过将异色酮与取代芳香胺反应合成了异色酮席夫碱,并通过UV-Visible、1HNMR、13CNMR、IR和微量分析数据进行了表征。所有合成的异色酮席夫碱均通过孢子抑制技术和茄子寄生虫-隐球线虫卵孵化抑制和J2死亡测试,在体外对小麦病原真菌Bipolarissorokiniana、Alternaria triticina进行了筛选。体外研究和对接模拟研究表明,3-(2,4,5-三氯苯基亚胺)吲哚-2-酮6f和3-(2,4-二硝基苯基亚胺)吲哚-2-酮6c,取代有三卤素和二硝基电子吸引基团,被发现是有前途的抗病原体候选物。通过分子对接分析测试化合物与天冬氨酸蛋白酶和乙酰胆碱结合蛋白的可能结合相互作用。</div> </div> </li> <li class="feature-list-item"> <div class="content-title">Knoevenagel, Journal fur praktische Chemie (Leipzig 1954), 1914, vol. <2>89, p. 45</div> <div class="value"> <div class="value-text"> <span>作者:</span>Knoevenagel </div> <div class="value-text"> <span>DOI:</span>—— </div> <div class="value-text"> <span>日期:</span>—— </div> <div class="value-text en"></div> <div class="value-text ch"></div> </div> </li> <li class="feature-list-item"> <div class="content-title">Patro; Panda; Sahoo, Journal of the Indian Chemical Society, 2012, vol. 89, # 7, p. 913 - 918</div> <div class="value"> <div class="value-text"> <span>作者:</span>Patro、Panda、Sahoo、Mishra、Panda </div> <div class="value-text"> <span>DOI:</span>—— </div> <div class="value-text"> <span>日期:</span>—— </div> <div class="value-text en"></div> <div class="value-text ch"></div> </div> </li> <li class="feature-list-item"> <div class="content-title">Sahu, Susant K.; Banerjee, Mrityunja; Mishra, Sagar K., Acta poloniae pharmaceutica, 2007, vol. 64, # 2, p. 121 - 126</div> <div class="value"> <div class="value-text"> <span>作者:</span>Sahu, Susant K.、Banerjee, Mrityunja、Mishra, Sagar K.、Mohanta, Raj K.、Panda, Prasanna K.、Misro, Prafulla K. </div> <div class="value-text"> <span>DOI:</span>—— </div> <div class="value-text"> <span>日期:</span>—— </div> <div class="value-text en"></div> <div class="value-text ch"></div> </div> </li> <li class="feature-list-item"> <div class="content-title">Rai; Sengupta; Pandey, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2000, vol. 39, # 11, p. 1198 - 1201</div> <div class="value"> <div class="value-text"> <span>作者:</span>Rai、Sengupta、Pandey </div> <div class="value-text"> <span>DOI:</span>—— </div> <div class="value-text"> <span>日期:</span>—— </div> <div class="value-text en"></div> <div class="value-text ch"></div> </div> </li> </ul> <a href="https://chem.molaid.com/material/detail?source=UserSourcePortal&id=3101f7cyd42d479753N0&inchikey=CGGOVWJDISNQMI-UHFFFAOYSA-N" target="_blank" rel="nofollow" class="view-more">查看更多</a> </div> <div class="module" id="tongleihuahewu"> <h3 class="module-title"><i class="iconfont icon-tongleihuahewu"></i>同类化合物</h3> <div class="compounds-list"> <a target="_blank" href="https://www.molaid.com/MS_5" class="compound-item" title="(甲基3-(二甲基氨基)-2-苯基-2H-azirene-2-羧酸乙酯)">(甲基3-(二甲基氨基)-2-苯基-2H-azirene-2-羧酸乙酯)</a> <a target="_blank" href="https://www.molaid.com/MS_12" class="compound-item" 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title="有机杂环化合物">有机杂环化合物</a> <a href="https://www.molaid.com/fenzi/11" class="compound-item" title="苯类化合物">苯类化合物</a> <a href="https://www.molaid.com/fenzi/12" class="compound-item" title="木脂素、新木脂素和相关化合物">木脂素、新木脂素和相关化合物</a> <a href="https://www.molaid.com/fenzi/13" class="compound-item" title="苯丙烷和聚酮">苯丙烷和聚酮</a> <a href="https://www.molaid.com/fenzi/14" class="compound-item" title="脂质和类脂质分子">脂质和类脂质分子</a> <a href="https://www.molaid.com/fenzi/15" class="compound-item" title="有机酸及其衍生物">有机酸及其衍生物</a> <a href="https://www.molaid.com/fenzi/16" class="compound-item" title="有机氧化合物">有机氧化合物</a> <a href="https://www.molaid.com/fenzi/17" class="compound-item" title="生物碱及其衍生物">生物碱及其衍生物</a> <a href="https://www.molaid.com/fenzi/18" class="compound-item" title="有机硫化合物">有机硫化合物</a> <a href="https://www.molaid.com/fenzi/19" class="compound-item" title="核苷、核苷酸和类似物">核苷、核苷酸和类似物</a> <a href="https://www.molaid.com/fenzi/20" class="compound-item" title="碳氢化合物衍生物">碳氢化合物衍生物</a> <a href="https://www.molaid.com/fenzi/21" class="compound-item" title="有机氮化合物">有机氮化合物</a> <a href="https://www.molaid.com/fenzi/22" class="compound-item" title="碳氢化合物">碳氢化合物</a> <a href="https://www.molaid.com/fenzi/23" class="compound-item" title="有机卤素化合物">有机卤素化合物</a> <a href="https://www.molaid.com/fenzi/24" class="compound-item" title="有机聚合物">有机聚合物</a> <a href="https://www.molaid.com/fenzi/25" class="compound-item" title="有机金属化合物">有机金属化合物</a> <a href="https://www.molaid.com/fenzi/26" class="compound-item" title="乙炔化物 ">乙炔化物 </a> <a href="https://www.molaid.com/fenzi/27" class="compound-item" title="有机磷化合物">有机磷化合物</a> <a href="https://www.molaid.com/fenzi/28" class="compound-item" title="叠烯">叠烯</a> <a href="https://www.molaid.com/fenzi/29" class="compound-item" title="有机1,3-偶极化合物">有机1,3-偶极化合物</a> <a href="https://www.molaid.com/fenzi/30" class="compound-item" title="碳化物">碳化物</a> <a href="https://www.molaid.com/fenzi/31" class="compound-item" title="有机盐">有机盐</a> <a href="https://www.molaid.com/fenzi/32" class="compound-item" title="有机阳离子">有机阳离子</a> <a href="https://www.molaid.com/fenzi/33" class="compound-item" title="卡宾">卡宾</a> <a href="https://www.molaid.com/fenzi/34" class="compound-item" title="有机阴离子">有机阴离子</a> </div> </div> </div> <div class="right"> <div class="module"> <link rel="stylesheet" href="https://www.molaid.com/assets/css/common/hot-molecular.css?v=202504271"> <div class="component-card hot-molecular-card" style="--color: #FF4539;"> <div class="title"> <h3 class="title-name">热门分子</h3> </div> <div class="card-content"> <ul class="list"> <li class="item item-special" data-sort="TOP"> <div class="item-img"> <img src="data:image/svg+xml;base64,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