1-(1-(2-phenylacetyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(1-(2-phenylacetyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
• 英文别名: 3-[1-(2-phenylacetyl)piperidin-4-yl]-1H-benzimidazol-2-one
• 化学式: C₂₀H₂₁N₃O₂
• 分子量: 335.406
• InChiKey: XIKJEZLOGCDLAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苯乙酸 、 4-（2-酮酸-1-苯并咪唑）哌啶 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以50%的产率得到1-(1-(2-phenylacetyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
  参考文献：
  名称：

  Inhibition of activated STAT5 in Bcr/Abl expressing leukemia cells with new pimozide derivatives

  摘要：

  STATs are transcription factors acting as intracellular signaling after stimulation with cytokines, growth factors and hormones. STAT5 is also constitutively active in many forms of cancers, including chronic myelogenous leukemia, acute lymphoblastic leukemia and Hodgkin's lymphoma. Recently, literature reported that the neuroleptic drug pimozide inhibits STAT5 phosphorylation inducing apoptosis in CML cells. We undertook an investigation from pimozide structure, obtaining simple derivatives with cytotoxic and STAT5-inhibitory activity, two of them markedly more potent than pimozide. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.07.069

文献信息

• HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME
  申请人：Generos Biopharma Ltd.

  公开号：EP3960736A1

  公开（公告）日：2022-03-02

  A heterocyclic compound represented by formula XI, a pharmaceutically acceptable salt, a solvate, or a solvate of a pharmaceutically acceptable salt thereof, use thereof, and a composition containing the same. The compound is novel in structure and has good STAT5 inhibitory activity.

  由式XI表示的杂环化合物，其药用盐、溶剂合物，或其药用盐的溶剂合物，以及其用途和含有该化合物的组合物。该化合物在结构上是新颖的，并具有良好的STAT5抑制活性。
• [EN] FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME<br/>[FR] COMPOSÉ CONTENANT UN CYCLE FUSIONNÉ, SON APPLICATION, ET COMPOSITION LE CONTENANT<br/>[ZH] 一种含稠环的化合物、其应用及含其的组合物
  申请人：GENEROS BIOPHARMA LTD

  公开号：WO2022083731A1

  公开（公告）日：2022-04-28

  一种含稠环的化合物、其应用及含其的组合物，具体为一种如式(II)所示的含稠环的化合物、其药学上可接受的盐、其溶剂合物或其药学上可接受的盐的溶剂合物，该类化合物具有较佳的STAT5抑制活性。
• [EN] HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME<br/>[FR] COMPOSÉ HÉTÉROCYCLIQUE, SON APPLICATION ET COMPOSITION LE CONTENANT<br/>[ZH] 一种含杂环的化合物、其应用及含其的组合物
  申请人：GENEROS BIOPHARMA LTD

  公开号：WO2020216378A1

  公开（公告）日：2020-10-29

  一种如式XI所示的含杂环的化合物、其药学上可接受的盐、其溶剂合物或其药学上可接受的盐的溶剂合物，及其应用及含其的组合物。该类化合物的结构新颖，具有较佳的STAT5抑制活性。
• Inhibition of activated STAT5 in Bcr/Abl expressing leukemia cells with new pimozide derivatives
  作者：Riccardo Rondanin、Daniele Simoni、Romeo Romagnoli、Riccardo Baruchello、Paolo Marchetti、Cristiana Costantini、Sara Fochi、Giacomo Padroni、Stefania Grimaudo、Rosaria Maria Pipitone、Maria Meli、Manlio Tolomeo

  DOI：10.1016/j.bmcl.2014.07.069

  日期：2014.9

  STATs are transcription factors acting as intracellular signaling after stimulation with cytokines, growth factors and hormones. STAT5 is also constitutively active in many forms of cancers, including chronic myelogenous leukemia, acute lymphoblastic leukemia and Hodgkin's lymphoma. Recently, literature reported that the neuroleptic drug pimozide inhibits STAT5 phosphorylation inducing apoptosis in CML cells. We undertook an investigation from pimozide structure, obtaining simple derivatives with cytotoxic and STAT5-inhibitory activity, two of them markedly more potent than pimozide. (C) 2014 Elsevier Ltd. All rights reserved.