N-(1-hydroxymethyl-1,2-dimethyl-propyl)-3-methoxy-2-methyl-benzamide | 551964-07-9

• 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: N-(1-hydroxymethyl-1,2-dimethyl-propyl)-3-methoxy-2-methyl-benzamide
• 英文别名: N-(1-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzamide
• CAS: 551964-07-9
• 化学式: C₁₅H₂₃NO₃
• 分子量: 265.353
• InChiKey: TZTPXFRKTIQCOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(1-hydroxymethyl-1,2-dimethyl-propyl)-3-methoxy-2-methyl-benzamide 在 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 N-[1-(hydroxy-m-tolyl-methyl)-1,2-dimethyl-propyl]-3-methoxy-2-methyl-benzamide
  参考文献：
  名称：

  Synthesis and SAR of α-Acylaminoketone ligands for control of gene expression

  摘要：

  A lead discovery library and a follow-up focused library of alpha-acylaminoketones were designed based on known dibenzoylhydrazine ecdysone agonists, including GS(TM)-E. The compounds were assayed in mammalian cells expressing the ecdysone receptor from Bombyx mori for their ability to cause expression of a reporter gene downstream of an ecdysone response element. The most potent alpha-acylaminoketones were comparable to GS(TM)-E in this assay. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00980-0
• 作为产物：
  描述：

  2-甲基-3-甲氧基苯甲酰氯 在 吡啶 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 反应 168016.0h， 生成 N-(1-hydroxymethyl-1,2-dimethyl-propyl)-3-methoxy-2-methyl-benzamide
  参考文献：
  名称：

  Synthesis and SAR of α-Acylaminoketone ligands for control of gene expression

  摘要：

  A lead discovery library and a follow-up focused library of alpha-acylaminoketones were designed based on known dibenzoylhydrazine ecdysone agonists, including GS(TM)-E. The compounds were assayed in mammalian cells expressing the ecdysone receptor from Bombyx mori for their ability to cause expression of a reporter gene downstream of an ecdysone response element. The most potent alpha-acylaminoketones were comparable to GS(TM)-E in this assay. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00980-0

文献信息

• Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex
  申请人：——

  公开号：US20040049037A1

  公开（公告）日：2004-03-11

  This invention relates to 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. The ligands comprise a class of ketones.

  这项发明涉及一种调节外源基因表达的方法，其中包括一个包括：DNA结合结构域；配体结合结构域；转录激活结构域；和配体的ecdysone受体复合物与包括：外源基因和响应元件的DNA构建物接触；其中外源基因受响应元件控制，并且在配体存在的情况下DNA结合结构域与响应元件结合导致基因的激活或抑制。配体包括一类酮。
• Ketone Ligands for Modulating the Expression of Exogenous Genes Via An Ecdysone Receptor Complex
  申请人：Tice Colin M.

  公开号：US20090111183A1

  公开（公告）日：2009-04-30

  This invention relates to 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. The ligands comprise a class of ketones.

  本发明涉及一种调节外源基因表达的方法，其中包括一个包含：DNA结合域、配体结合域、转录激活域和配体的ecdysone受体复合物与包含外源基因和响应元件的DNA构建物接触；其中外源基因受响应元件控制，当在配体存在下DNA结合域与响应元件结合时，会导致基因的激活或抑制。配体包括一类酮类。
• Alpha-acylaminoketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex
  申请人：Intrexon Corporation

  公开号：EP2392561A1

  公开（公告）日：2011-12-07

  This invention relates to 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. The ligands comprise a class of ketones.

  本发明涉及一种调节外源基因表达的方法，其中包括 DNA 结合结构域、配体结合结构域、转录激活结构域和配体的蜕皮激素受体复合物与包括外源基因和反应元件的 DNA 构建体接触；其中外源基因受反应元件控制，DNA 结合结构域在配体存在的情况下与反应元件结合导致基因的激活或抑制。配体包括一类酮。
• KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX
  申请人：RheoGene, Inc.

  公开号：EP1534658A2

  公开（公告）日：2005-06-01
• EP1534658A4
  申请人：——

  公开号：EP1534658A4

  公开（公告）日：2006-10-04