methyl 4-((diphenylamino)methyl)benzoate | 1297654-33-1

• 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: methyl 4-((diphenylamino)methyl)benzoate
• 英文别名: methyl 4-[(N-phenylanilino)methyl]benzoate
• CAS: 1297654-33-1
• 化学式: C₂₁H₁₉NO₂
• 分子量: 317.387
• InChiKey: HGHRNWCMENIHDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 4-((diphenylamino)methyl)benzoate 在 水 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Discovery of novel PTP1B inhibitors via pharmacophore-oriented scaffold hopping from Ertiprotafib

  摘要：

  An integrated molecular design strategy combining pharmacophore recognition and scaffold hopping was exploited to discover novel PTP1B inhibitors based on the known PTP1B inhibitor Ertiprotafib. A composite pharmacophore model was proposed from the interaction mode of Ertiprotafib, and 21 diverse molecules from five distinct structural classes were designed and synthesized accordingly. New compounds with considerable inhibition against PTP1B were identified from each series, and the most active compound 3a showed IC50 value of 1.3 mu mol L-1 against human recombinant PTP1B. Docking study indicated that the new inhibitors assumed binding modes similar to that of Ertiprotafib. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.10.002
• 作为产物：
  描述：

  4-溴甲基苯甲酸甲酯 、 二苯胺 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.25h， 以53%的产率得到methyl 4-((diphenylamino)methyl)benzoate
  参考文献：
  名称：

  [EN] HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME
  [FR] INHIBITEURS DE HDAC ET PROCÉDÉS THÉRAPEUTIQUES LES UTILISANT

  摘要：

  公开号：

  WO2012106343A3

文献信息

• HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME
  申请人：Kozikowski Alan

  公开号：US20140128408A1

  公开（公告）日：2014-05-08

  Histone deacetylases inhibitors (HDACIs) and compositions containing the same are disclosed. Methods of treating diseases and conditions wherein inhibition of HDAC provides a benefit, like a cancer, a neurodegenerative disorder, a peripheral neuropathy, a neurological disease, traumatic brain injury, stroke, hypertension, malaria, an autoimmune disease, autism, autism spectrum disorders, and inflammation, also are disclosed.

  本发明公开了组蛋白去乙酰化酶抑制剂（HDACIs）及其组成物。公开了治疗疾病和状况的方法，其中抑制HDAC提供了益处，如癌症、神经退行性疾病、周围神经病变、神经疾病、创伤性脑损伤、中风、高血压、疟疾、自身免疫疾病、自闭症、自闭症谱系障碍和炎症。
• HDAC inhibitors and therapeutic methods using the same
  申请人：Kozikowski Alan

  公开号：US09249087B2

  公开（公告）日：2016-02-02

  Histone deacetylases inhibitors (HDACIs) and compositions containing the same are disclosed. Methods of treating diseases and conditions wherein inhibition of HDAC provides a benefit, like a cancer, a neurodegenerative disorder, a peripheral neuropathy, a neurological disease, traumatic brain injury, stroke, hypertension, malaria, an autoimmune disease, autism, autism spectrum disorders, and inflammation, also are disclosed.

  本文揭示了组蛋白去乙酰化酶抑制剂（HDACIs）及含有其的组合物。同时还揭示了治疗疾病和条件的方法，其中HDAC抑制提供益处，如癌症、神经退行性疾病、周围神经病变、神经疾病、创伤性脑损伤、中风、高血压、疟疾、自身免疫疾病、自闭症、自闭症谱系障碍和炎症。
• N-HYDROXYBENZAMIDE DERIVATIVES AS HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME
  申请人：The Board of Trustees of the University of Illinois

  公开号：EP2670733B1

  公开（公告）日：2019-04-10
• US9249087B2
  申请人：——

  公开号：US9249087B2

  公开（公告）日：2016-02-02
• USRE47009E1
  申请人：——

  公开号：USRE47009E1

  公开（公告）日：2018-08-28