7-[N'-tert-butyl-N'-(3,5-dimethyl-benzoyl)-hydrazinocarbonyl]-8-methyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid pentafluorophenyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 7-[N'-tert-butyl-N'-(3,5-dimethyl-benzoyl)-hydrazinocarbonyl]-8-methyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid pentafluorophenyl ester
• 英文别名: (2,3,4,5,6-pentafluorophenyl) 6-[[tert-butyl-(3,5-dimethylbenzoyl)amino]carbamoyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
• 化学式: C₃₀H₂₇F₅N₂O₆
• 分子量: 606.5
• InChiKey: QGAONXLEIGLBSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  94.2
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  7-[N'-tert-butyl-N'-(3,5-dimethyl-benzoyl)-hydrazinocarbonyl]-8-methyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid 、 五氟苯酚 、 N,N'-二环己基碳二亚胺 在 二氯甲烷 、 silica gel 、 乙酸乙酯 、 正己烷 作用下， 以 乙酸乙酯 为溶剂， 反应 24.0h， 以yielded the pentafluorophenol ester, 7-[N′-tert-butyl-N′-(3,5-dimethyl-benzoyl)-hydrazinocarbonyl]-8-methyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid pentafluorophenyl ester的产率得到
  参考文献：
  名称：

  Diacylhydrazine ligands for modulating the expression of exogenous genes in mammalian systems via an ecdysone receptor complex

  摘要：

  本发明涉及非类固醇配体，用于核受体基于诱导基因表达系统，并提供了一种调节外源基因表达的方法，其中包括接触由以下组成的ecdysone受体复合物与DNA构建物：DNA结合域、配体结合域、转录激活域和配体。该DNA构建物包括：外源基因和响应元素，其中外源基因受响应元素控制，当在存在配体的情况下DNA结合域与响应元素结合时，会激活或抑制该基因。

  公开号：

  US08748125B2

文献信息

• DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES IN MAMMALIAN SYSTEMS VIA AN ECDYSONE RECEPTOR COMPLEX
  申请人：Hormann Robert Eugene

  公开号：US20080194521A1

  公开（公告）日：2008-08-14

  The present invention relates to non-steroidal ligands for use in nuclear receptor-based inducible gene expression system, and a method to modulate exogenous gene expression in which an ecdysone receptor complex comprising: a DNA binding domain; a ligand binding domain; a transactivation domain; and a ligand is contacted with a DNA construct comprising: the exogenous gene and a response element; wherein the exogenous gene is under the control of the response element and binding of the DNA binding domain to the response element in the presence of the ligand results in activation or suppression of the gene.

  本发明涉及非甾体配体，用于核受体基于诱导基因表达系统的使用，以及一种调节外源基因表达的方法，其中包括与DNA构建物接触的ecdysone受体复合物，该复合物包括：DNA结合域、配体结合域、转录激活域和配体；其中，外源基因位于响应元件的控制下，DNA结合域在存在配体的情况下与响应元件结合，导致基因的激活或抑制。
• Diaclhydrazine ligands for modulating the expression of exogenous genes in mammalian systems via an ecdysone receptor complex
  申请人：Intrexon Corporation

  公开号：US07304161B2

  公开（公告）日：2007-12-04

  The present invention relates to non-steroidal ligands for use in nuclear receptor-based inducible gene expression system, and a method to modulate exogenous gene expression in which an ecdysone receptor complex comprising: a DNA binding domain; a ligand binding domain; a transactivation domain; and a ligand is contacted with a DNA construct comprising: the exogenous gene and a response element; wherein the exogenous gene is under the control of the response element and binding of the DNA binding domain to the response element in the presence of the ligand results in activation or suppression of the gene.

  本发明涉及非类固醇配体，用于核受体基础的可诱导基因表达系统，并提供了一种调节外源基因表达的方法，其中包括与DNA结构相接触的ecdysone受体复合物，该复合物包括：一个DNA结合域；一个配体结合域；一个转录激活域；以及一个配体，所述DNA结构包括：外源基因和一个响应元件；其中，外源基因受响应元件控制，当DNA结合域在配体存在下与响应元件结合时，导致基因的激活或抑制。
• NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS.
  申请人：Galapagos NV

  公开号：US20150005275A1

  公开（公告）日：2015-01-01

  The present invention discloses compounds according to Formula I: wherein R 1 , R 2 , R 3 , L, and the subscript m are as defined herein. The present invention relates to compounds and their use in the treatment of cystic fibrosis, methods for their production, pharmaceutical compositions, and methods of treatment using the same, for the treatment of cystic fibrosis by administering a compound of the invention.

  本发明公开了式I的化合物：其中R1、R2、R3、L和下标m的定义如本文所述。本发明涉及这些化合物及其在囊性纤维化治疗中的应用，以及它们的生产方法、制药组合物和使用相同的治疗方法，通过给予该发明的化合物治疗囊性纤维化。
• Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes in Mammalian Systems via an Ecdysone Receptor Complex
  申请人：Intrexon Corporation

  公开号：US20150005256A1

  公开（公告）日：2015-01-01

  The present invention relates to non-steroidal ligands for use in nuclear receptor-based inducible gene expression system, and a method to modulate exogenous gene expression in which an ecdysone receptor complex comprising: a DNA binding domain; a ligand binding domain; a transactivation domain; and a ligand is contacted with a DNA construct comprising: the exogenous gene and a response element; wherein the exogenous gene is under the control of the response element and binding of the DNA binding domain to the response element in the presence of the ligand results in activation or suppression of the gene.

  本发明涉及非类固醇配体，用于核受体基础的可诱导基因表达系统，并提供一种调节外源基因表达的方法，其中包括与DNA构建物接触的ecdysone受体复合物，该复合物包括：DNA结合域；配体结合域；转录激活域；以及配体。所述DNA构建物包括：外源基因和响应元件，其中外源基因受响应元件控制，在配体存在下，DNA结合域与响应元件的结合导致基因的激活或抑制。
• NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS
  申请人：Galapagos NV

  公开号：US20160263084A1

  公开（公告）日：2016-09-15

  The present invention discloses compounds according to Formula I: wherein R 1 , R 2 , R 3 , L, and the subscript m are as defined herein. The present invention relates to compounds and their use in the treatment of cystic fibrosis, methods for their production, pharmaceutical compositions, and methods of treatment using the same, for the treatment of cystic fibrosis by administering a compound of the invention.

  本发明揭示了按照公式I的化合物：其中R1，R2，R3，L和下标m如本文所定义。本发明涉及该化合物及其在治疗囊性纤维化方面的用途，以及其制备方法，制药组合物和使用该化合物的治疗方法，通过给予该发明中的化合物治疗囊性纤维化。