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1-(4-acetylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione | 1323444-38-7

中文名称
——
中文别名
——
英文名称
1-(4-acetylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione
英文别名
——
1-(4-acetylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione化学式
CAS
1323444-38-7
化学式
C16H14N2O3
mdl
——
分子量
282.299
InChiKey
GSUYRYIIBFGFIP-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

计算性质

  • 辛醇/水分配系数(LogP):
    1.1
  • 重原子数:
    21
  • 可旋转键数:
    2
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.19
  • 拓扑面积:
    68.2
  • 氢给体数:
    1
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    2-(三氯乙酰)吡咯吡啶四磷十氧化物 、 copper(II) acetate monohydrate 、 三乙胺 、 sodium hydroxide 作用下, 以 二氯甲烷乙腈 为溶剂, 生成 1-(4-acetylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione
    参考文献:
    名称:
    Pyrrolo[2,3-c]azepine derivatives: A new class of potent protein tyrosine phosphatase 1B inhibitors
    摘要:
    A series of pyrrolo[2,3-c] azepine derivatives was designed, synthesized, and evaluated as a new class of inhibitors against protein tyrosine phosphatase 1B (PTP1B) in vitro. The results demonstrated that compounds bearing a biphenyl moiety were proved to markedly influence the potency of these inhibitors. Particularly, compounds 29, 35 and 36 showed interesting inhibition with IC50 value of 16.36, 14.93 and 13.92 mu M, respectively. (C) 2011 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2011.05.052
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文献信息

  • Discovery of Aldisine and Its Derivatives as Novel Antiviral, Larvicidal, and Antiphytopathogenic-Fungus Agents
    作者:Wentao Xu、Rongxin Yang、Yanan Hao、Hongjian Song、Yuxiu Liu、Jingjing Zhang、Yongqiang Li、Qingmin Wang
    DOI:10.1021/acs.jafc.2c04256
    日期:2022.10.5
    Based on the widespread use of hydrogen bonds in drug design, a series of aldisine derivatives containing oxime, oxime ether, and hydrazone moieties were designed and synthesized, and their antiviral, larvicidal, and fungicidal activities were evaluated for the first time. The bioassay results showed that most of these derivatives were active against tobacco mosaic virus (TMV). Hydrazone derivative
    基于氢键在药物设计中的广泛应用,设计合成了一系列含有肟、肟醚和腙部分的醛化衍生物,并首次评价了它们的抗病毒、杀幼虫和杀真菌活性。生物测定结果表明,这些衍生物中的大多数对烟草花叶病毒 (TMV) 具有活性。腙衍生物12在 500 mg/L时的体内灭活、治疗和保护活性分别为 52 ± 4、49 ± 1 和 52 ± 3%,与市售抗病毒药物宁南霉素 (57 ± 3, 56 ± 2 和 59 ± 1%)在相同剂量下。抗病毒机制研究表明,化合物12可引起20S CP(涂层蛋白)盘融合和解体,从而影响病毒颗粒的组装。分子对接结果表明化合物12与TMV CP之间存在明显的氢键。大多数衍生物对鳞翅目害虫的幼虫具有活性,例如Mythimna separata、Pyrausta nubilalis和Plutella xylostella。一些化合物还表现出对淡色库蚊的杀幼虫活性;其中化合物9和13的杀幼虫活性分别为
  • Pyrrolo[2,3-c]azepine derivatives: A new class of potent protein tyrosine phosphatase 1B inhibitors
    作者:Jianwei Xie、Jinying Tian、Li Su、Manna Huang、Xinhai Zhu、Fei Ye、Yiqian Wan
    DOI:10.1016/j.bmcl.2011.05.052
    日期:2011.7
    A series of pyrrolo[2,3-c] azepine derivatives was designed, synthesized, and evaluated as a new class of inhibitors against protein tyrosine phosphatase 1B (PTP1B) in vitro. The results demonstrated that compounds bearing a biphenyl moiety were proved to markedly influence the potency of these inhibitors. Particularly, compounds 29, 35 and 36 showed interesting inhibition with IC50 value of 16.36, 14.93 and 13.92 mu M, respectively. (C) 2011 Elsevier Ltd. All rights reserved.
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