1-(1H-benzo[d][1,2,3]triazol-1-yl)-2-(4-fluorophenyl)ethanone

• 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-(1H-benzo[d][1,2,3]triazol-1-yl)-2-(4-fluorophenyl)ethanone
• 英文别名: Cambridge id 6791229；1-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethanone
• 化学式: C₁₄H₁₀FN₃O
• mdl: MFCD00850930
• 分子量: 255.251
• InChiKey: YSNSZFNLOJWFEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-羟基-5-甲氧基苯甲醛 、 1-(1H-benzo[d][1,2,3]triazol-1-yl)-2-(4-fluorophenyl)ethanone 在 三乙胺 作用下， 以 neat (no solvent) 为溶剂， 反应 0.08h， 以85%的产率得到3-(4-fluorophenyl)-6-methoxy-2H-chromen-2-one
  参考文献：
  名称：

  使用N-酰基苯并三唑的超声辅助无溶剂平行合成3-芳基香豆素。

  摘要：

  已经开发了N-酰基苯并三唑与2-羟基苯甲醛之间的超声辅助一锅酰化/环化反应，用于合成取代的3-芳基香豆素。使用超声波不仅可以实现快速，清洁的转化，而且可以简化实验设置和并行处理，从而在温和，无溶剂和无色谱的条件下快速生成3-芳基香豆素文库。

  DOI：

  10.1021/acscombsci.6b00055

文献信息

• Small Molecule Analogs of the Nemo Binding Peptide
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US20180169078A1

  公开（公告）日：2018-06-21

  The invention is directed to a method of inhibiting, within a living cell, the interaction between NF-κB essential modulator (“NEMO”) with IκB kinase-β (IKK-β) at the NEMO binding domain (NBD), comprising exposing the cell to an effective amount or concentration of a compound of the invention, a NEMO-binding domain analog (NBDA). The invention is further directed to a method of treating a condition in a patient, wherein inhibiting the interaction between NF-κB essential modulator (“NEMO”) with IκB kinase-β (IKK-β) at the NEMO binding domain (NBD) is medically indicated, comprising administering to the patient an effective dose of a compound of the invention. Conditions that can be treated by a method of the invention includes muscular dystrophy, asthma, inflammatory bowel disease, multiple sclerosis, Parkinson's Disease, arthritis, diabetes, graft versus host disease, accelerated aging, heart ischemia, cancer, UV-induced skin damage, or an age-related pathology.

  该发明涉及一种抑制活细胞内NF-κB基本调节因子（“NEMO”）与IκB激酶-β（IKK-β）在NEMO结合结构域（NBD）上相互作用的方法，包括将细胞暴露于一种有效量或浓度的该发明化合物，即NEMO结合结构域类似物（NBDA）。该发明进一步涉及一种治疗患者病症的方法，其中在医学上指示抑制NF-κB基本调节因子（“NEMO”）与IκB激酶-β（IKK-β）在NEMO结合结构域（NBD）上的相互作用，包括向患者施用该发明化合物的有效剂量。该发明方法可治疗的病症包括肌肉萎缩症、哮喘、炎性肠病、多发性硬化症、帕金森病、关节炎、糖尿病、移植物抗宿主病、加速衰老、心脏缺血、癌症、紫外线诱导的皮肤损伤或与年龄相关的病理。
• Mechanochemical Synthesis of 2,5-Disubstituted 1,3,4-Oxadiazoles Mediated by PPh3-TCCA
  作者：Mookda Pattarawarapan、Dolnapa Yamano、Nittaya Wiriya、Wong Phakhodee、Sirawit Wet-osot

  DOI：10.1055/s-0040-1719867

  日期：2022.9

  Mechanochemical synthesis of 2,5-disubstituted 1,3,4-oxadiazoles was developed as an environmentally benign alternative to conventional solvent-based methods. In the presence of triphenylphosphine and trichloroisocyanuric acid, N-acylbenzotriazoles condense with acylhydrazides leading to oxadiazoles derivatives in good to excellent yields within minutes. The approach circumvents the need for strictly

  2,5-二取代 1,3,4-恶二唑的机械化学合成被开发为一种环境友好的替代传统溶剂方法的方法。在三苯基膦和三氯异氰脲酸存在下，N-酰基苯并三唑与酰肼缩合，在几分钟内以良好至极好的收率生成恶二唑衍生物。该方法避免了对严格无水条件、外部加热、长反应时间以及繁琐的多步骤程序的需要。一系列具有反应性功能的底物也具有良好的耐受性。
• Small molecule analogs of the nemo binding peptide
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US10758522B2

  公开（公告）日：2020-09-01

  The invention is directed to a method of inhibiting, within a living cell, the interaction between NF-κB essential modulator (“NEMO”) with IκB kinase-β (IKK-β) at the NEMO binding domain (NBD), comprising exposing the cell to an effective amount or concentration of a compound of the invention, a NEMO-binding domain analog (NBDA). The invention is further directed to a method of treating a condition in a patient, wherein inhibiting the interaction between NF-κB essential modulator (“NEMO”) with IκB kinase-β (IKK-β) at the NEMO binding domain (NBD) is medically indicated, comprising administering to the patient an effective dose of a compound of the invention. Conditions that can be treated by a method of the invention includes muscular dystrophy, asthma, inflammatory bowel disease, multiple sclerosis, Parkinson's Disease, arthritis, diabetes, graft versus host disease, accelerated aging, heart ischemia, cancer, UV-induced skin damage, or an age-related pathology.

  本发明涉及一种在活细胞内抑制NF-κB基本调节剂（"NEMO"）与IκB激酶-β（IKK-β）在NEMO结合结构域（NBD）处相互作用的方法，包括将细胞暴露于有效量或有效浓度的本发明化合物--NEMO结合结构域类似物（NBDA）。本发明进一步涉及一种治疗患者病症的方法，其中抑制 NF-κB 基本调节剂（"NEMO"）与 IκB 激酶-β（IKK-β）在 NEMO 结合结构域（NBD）处的相互作用具有医学指征，包括向患者施用有效剂量的本发明化合物。本发明方法可治疗的疾病包括肌肉萎缩症、哮喘、炎症性肠病、多发性硬化症、帕金森病、关节炎、糖尿病、移植物抗宿主疾病、加速衰老、心脏缺血、癌症、紫外线引起的皮肤损伤或与年龄相关的病理。
• SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE
  申请人：The Scripps Research Institute

  公开号：EP3302468A1

  公开（公告）日：2018-04-11
• [EN] SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE<br/>[FR] ANALOGUES À PETITES MOLÉCULES DU PEPTIDE DE LIAISON NEMO
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2016196117A1

  公开（公告）日：2016-12-08

  The invention is directed to a method of inhibiting, within a living cell, the interaction between NF-κB essential modulator ("NEMO") with IκB kinase-β (IKK-β) at the NEMO binding domain (NBD), comprising exposing the cell to an effective amount or concentration of a compound of the invention, a NEMO-binding domain analog (NBDA). The invention is further directed to a method of treating a condition in a patient, wherein inhibiting the interaction between NF-κB essential modulator ("NEMO") with IκB kinase-β (IKK-β) at the NEMO binding domain (NBD) is medically indicated, comprising administering to the patient an effective dose of a compound of the invention. Conditions that can be treated by a method of the invention includes muscular dystrophy, asthma, inflammatory bowel disease, multiple sclerosis, Parkinson's Disease, arthritis, diabetes, graft versus host disease, accelerated aging, heart ischemia, cancer, UV-induced skin damage, or an age-related pathology.