3,4-二乙氧基苯甲酰肼 | 380482-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,4-二乙氧基苯甲酰肼
• 英文名称: 3,4-diethoxybenzohydrazide
• CAS: 380482-31-5
• 化学式: C₁₁H₁₆N₂O₃
• mdl: MFCD01310808
• 分子量: 224.26
• InChiKey: UXWHTJPMGMMDNV-UHFFFAOYSA-N

物化性质

• 熔点：
  164-166°C

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  73.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  4-tert-butyl-trans-cinnamic acid 、 3,4-二乙氧基苯甲酰肼 在 三氯氧磷 作用下， 以52%的产率得到2-(4-(tert-butyl)styryl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Rational modifications on a benzylidene-acrylohydrazide antiviral scaffold, synthesis and evaluation of bioactivity against Chikungunya virus

  摘要：

  Chikungunya virus is a re-emerging arbovirus transmitted to humans by Aedes mosquitoes, responsible for an acute febrile illness associated with painful and debilitating arthralgia, which can persist for several months or become chronic. Over the past few years, infection with this virus has spread worldwide with a previously unknown virulence. No specific antiviral treatments nor vaccines are currently available against this important pathogen. Starting from the structure of a class of selective anti-CHIKV agents previously identified in our research group, different modifications to this scaffold were rationally designed, and 69 novel small-molecule derivatives were synthesised and evaluated for their inhibition of Chikungunya virus replication in Vero cells. Further structure-activity relationships associated with this class of antiviral agents were elucidated for the original scaffolds, and novel antiviral compounds with EC50 values in the low micromolar range were identified. This work provides the foundation for further investigation of these new structures as antivirals against Chikungunya virus. (C) 2018 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2018.02.054
• 作为产物：
  描述：

  3,4-二乙氧基苯甲酸乙酯 在 一水合肼 作用下， 以 乙醇 为溶剂， 以78%的产率得到3,4-二乙氧基苯甲酰肼
  参考文献：
  名称：

  Rational modifications on a benzylidene-acrylohydrazide antiviral scaffold, synthesis and evaluation of bioactivity against Chikungunya virus

  摘要：

  Chikungunya virus is a re-emerging arbovirus transmitted to humans by Aedes mosquitoes, responsible for an acute febrile illness associated with painful and debilitating arthralgia, which can persist for several months or become chronic. Over the past few years, infection with this virus has spread worldwide with a previously unknown virulence. No specific antiviral treatments nor vaccines are currently available against this important pathogen. Starting from the structure of a class of selective anti-CHIKV agents previously identified in our research group, different modifications to this scaffold were rationally designed, and 69 novel small-molecule derivatives were synthesised and evaluated for their inhibition of Chikungunya virus replication in Vero cells. Further structure-activity relationships associated with this class of antiviral agents were elucidated for the original scaffolds, and novel antiviral compounds with EC50 values in the low micromolar range were identified. This work provides the foundation for further investigation of these new structures as antivirals against Chikungunya virus. (C) 2018 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2018.02.054

文献信息

• [EN] HDAC INHIBITOR COMPOUNDS AND METHODS OF TREATMENT<br/>[FR] COMPOSÉS INHIBITEURS DE HDAC ET MÉTHODES DE TRAITEMENT
  申请人：UNIV FLORIDA

  公开号：WO2015153516A1

  公开（公告）日：2015-10-08

  The instant invention describes hydrazide-containing compounds having therapeutic activity, and methods of treating disorders such as cancer, tumors and cell proliferation related disorders, or affect cell differentiation, dedifferentiation or transdifferentiation.

  这种瞬时发明描述了具有治疗活性的含有肼基的化合物，以及治疗诸如癌症、肿瘤和细胞增殖相关疾病或影响细胞分化、去分化或转分化的方法。
• HDAC INHIBITOR COMPOUNDS AND METHODS OF TREATMENT
  申请人：University of Florida Research Foundation, Inc.

  公开号：US20170174619A1

  公开（公告）日：2017-06-22

  The instant invention describes hydrazide-containing compounds having therapeutic activity, and methods of treating disorders such as cancer, tumors and cell proliferation related disorders, or affect cell differentiation, dedifferentiation or transdifferentiation.
• Rational modifications on a benzylidene-acrylohydrazide antiviral scaffold, synthesis and evaluation of bioactivity against Chikungunya virus
  作者：Gilda Giancotti、Michela Cancellieri、Andrea Balboni、Mariateresa Giustiniano、Ettore Novellino、Leen Delang、Johan Neyts、Pieter Leyssen、Andrea Brancale、Marcella Bassetto

  DOI：10.1016/j.ejmech.2018.02.054

  日期：2018.4

  Chikungunya virus is a re-emerging arbovirus transmitted to humans by Aedes mosquitoes, responsible for an acute febrile illness associated with painful and debilitating arthralgia, which can persist for several months or become chronic. Over the past few years, infection with this virus has spread worldwide with a previously unknown virulence. No specific antiviral treatments nor vaccines are currently available against this important pathogen. Starting from the structure of a class of selective anti-CHIKV agents previously identified in our research group, different modifications to this scaffold were rationally designed, and 69 novel small-molecule derivatives were synthesised and evaluated for their inhibition of Chikungunya virus replication in Vero cells. Further structure-activity relationships associated with this class of antiviral agents were elucidated for the original scaffolds, and novel antiviral compounds with EC50 values in the low micromolar range were identified. This work provides the foundation for further investigation of these new structures as antivirals against Chikungunya virus. (C) 2018 Elsevier Masson SAS. All rights reserved.