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2-(2-氰基苯氧基)乙酰胺 | 54802-12-9

中文名称
2-(2-氰基苯氧基)乙酰胺
中文别名
——
英文名称
2-(2-cyanophenoxy)acetamide
英文别名
2-Cyanophenoxyacetamid
2-(2-氰基苯氧基)乙酰胺化学式
CAS
54802-12-9
化学式
C9H8N2O2
mdl
MFCD00297091
分子量
176.175
InChiKey
RYOYNMJXEHNYAG-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):
    0.5
  • 重原子数:
    13
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.111
  • 拓扑面积:
    76.1
  • 氢给体数:
    1
  • 氢受体数:
    3

安全信息

  • 危险等级:
    6.1
  • 储存条件:
    2-8°C

SDS

SDS:5e5477ac2e0b4f315ab2b43bfa7b063b
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反应信息

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文献信息

  • [EN] BENZOFURAN DERIVATIVES FOR USE AS AMPK ACTIVATORS<br/>[FR] DÉRIVÉS DE BENZOFURANE DESTINÉS À ÊTRE UTILISÉS EN TANT QU'ACTIVATEURS D'AMPK
    申请人:UNIV PISA
    公开号:WO2018189683A1
    公开(公告)日:2018-10-18
    The present invention refers to benzofuran derivatives, capable of efficaciously activating the enzymatic complex AMPK, useful for the prophylaxis and therapeutic treatment of diseases and disorders in particular metabolic disorders such as diabetes and obesity, immune-mediated inflammatory pathologies and tumours.
    本发明涉及苯并呋喃生物,能够有效激活酶复合物AMPK,适用于预防和治疗特定代谢性疾病和紊乱,如糖尿病和肥胖,免疫介导的炎症病理和肿瘤。
  • COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS
    申请人:Tait Bradley
    公开号:US20130072473A1
    公开(公告)日:2013-03-21
    The present invention is directed to compounds of Formulae (I), (IIa-IIh), (IIIa-IIIe), (IVa-IVc), (Va-V1), (VIa-VII), (VII), (VIII) and (IX), pharmaceutical compositions thereof and methods of use thereof in the treatment of conditions associated with a dysfunction in proteostasis.
    本发明涉及式(I)、(IIa-IIh)、(IIIa-IIIe)、(IVa-IVc)、(Va-V1)、(VIa-VII)、(VII)、(VIII)和(IX)化合物,以及其制备的药物组合物和治疗与蛋白质稳态失调相关疾病的方法。
  • Design, synthesis, and biological evaluation of a series of benzofuran[3,2-d]pyrimidine-4(3H)-one derivatives containing thiosemicarbazone analogs as novel PARP-1 inhibitors
    作者:Yuanjiang Wang、Kun Li、Wenqing Xu、Shaohua Gou
    DOI:10.1016/j.bioorg.2023.106759
    日期:2023.10
    of cancer cells. In this work, benzofuran[3,2-d]pyrimidine-4(3H)-one was used as a framework to design and synthesize a series of novel PARP-1 inhibitors by introducing thiosemicarbazone or its derivatives into the scafford. Among all the target compounds, 19b and 19c were found to exhibit more potent inhibitory activity and higher selectivity against PARP-1 than Olaparib, especially the latter had
    ADP核糖聚合酶-1(PARP-1)是PARP蛋白家族最重要的成员之一,在DNA损伤修复、基因转录和癌细胞凋亡中发挥着至关重要的作用。本工作以苯并呋喃[3,2- d ]嘧啶-4(3H ) -酮为骨架,通过将缩硫脲或其衍生物引入支架中,设计合成了一系列新型PARP-1抑制剂。在所有目标化合物中,19b和19c比OlaPARib对PARP-1表现出更强的抑制活性和更高的选择性,特别是后者对PARP-1酶和PARP-2/PARP的IC 50 值为0.026 μM -1 选择性是奥拉帕尼的 85.19 倍。除了对测试的癌细胞系具有很强的细胞毒性外,19c对 SK-OV-3 细胞最敏感,IC 50值为 4.98 μM,优于奥拉帕尼。抗癌机制研究表明,19c可通过抑制PARP-1活性来抑制DNA单链断裂修复并加剧DNA双链断裂,并通过线粒体凋亡途径促进癌细胞凋亡。
  • The design, synthesis, and biological evaluation of PIM kinase inhibitors
    作者:Amy Lew Tsuhako、David S. Brown、Elena S. Koltun、Naing Aay、Arlyn Arcalas、Vicky Chan、Hongwang Du、Stefan Engst、Maurizio Franzini、Adam Galan、Ping Huang、Stuart Johnston、Brian Kane、Moon H. Kim、A. Douglas Laird、Rui Lin、Lillian Mock、Iris Ngan、Michael Pack、Gordon Stott、Thomas J. Stout、Peiwen Yu、Cristiana Zaharia、Wentao Zhang、Peiwen Zhou、John M. Nuss、Patrick C. Kearney、Wei Xu
    DOI:10.1016/j.bmcl.2012.04.025
    日期:2012.6
    A series of substituted benzofuropyrimidinones with pan-PIM activities and excellent selectivity against a panel of diverse kinases is described. Initial exploration identified aryl benzofuropyrimidinones that were potent, but had cell permeability limitation. Using X-ray crystal structures of the bound PIM-1 complexes with 3, 5m, and 6d, we were able to guide the SAR and identify the alkyl benzofuropyrimidinone (6l) with good PIM potencies, permeability, and oral exposure. (C) 2012 Elsevier Ltd. All rights reserved.
  • Discovery of XL413, a potent and selective CDC7 inhibitor
    作者:Elena S. Koltun、Amy Lew Tsuhako、David S. Brown、Naing Aay、Arlyn Arcalas、Vicky Chan、Hongwang Du、Stefan Engst、Kim Ferguson、Maurizio Franzini、Adam Galan、Charles R. Holst、Ping Huang、Brian Kane、Moon H. Kim、Jia Li、David Markby、Manisha Mohan、Kevin Noson、Arthur Plonowski、Steven J. Richards、Scott Robertson、Kenneth Shaw、Gordon Stott、Thomas J. Stout、Jenny Young、Peiwen Yu、Cristiana A. Zaharia、Wentao Zhang、Peiwen Zhou、John M. Nuss、Wei Xu、Patrick C. Kearney
    DOI:10.1016/j.bmcl.2012.04.024
    日期:2012.6
    CDC7 is a serine/threonine kinase that has been shown to be required for the initiation and maintenance of DNA replication. Up-regulation of CDC7 is detected in multiple tumor cell lines, with inhibition of CDC7 resulting in cell cycle arrest. In this paper, we disclose the discovery of a potent and selective CDC7 inhibitor, XL413 (14), which was advanced into Phase 1 clinical trials. Starting from advanced lead 3, described in a preceding communication, we optimized the CDC7 potency and selectivity to demonstrate in vitro CDC7 dependent cell cycle arrest and in vivo tumor growth inhibition in a Colo-205 xenograft model. (C) 2012 Elsevier Ltd. All rights reserved.
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