(S)-3,5-dimethylbenzoic acid N-(1-tert-butylbutyl)-N'-(2-ethyl-3-methoxybenzoyl)hydrazide | 1093131-03-3

• 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: (S)-3,5-dimethylbenzoic acid N-(1-tert-butylbutyl)-N'-(2-ethyl-3-methoxybenzoyl)hydrazide
• 英文别名: Veledimex S enantiomer；N'-(3,5-dimethylbenzoyl)-N'-[(3S)-2,2-dimethylhexan-3-yl]-2-ethyl-3-methoxybenzohydrazide
• CAS: 1093131-03-3
• 化学式: C₂₇H₃₈N₂O₃
• 分子量: 438.61
• InChiKey: LZWZPGLVHLSWQX-DEOSSOPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex
  申请人：HORMANN Robert Eugene

  公开号：US20120116090A1

  公开（公告）日：2012-05-10

  The present invention provides diacylhydrazine ligands and chiral diacylhydrazine ligands for use with ecdysone receptor-based inducible gene expression systems. Thus, the present invention is useful for applications such as gene therapy, large scale production of proteins and antibodies, cell-based screening assays, functional genomics, proteomics, metabolomics, and regulation of traits in transgenic organisms, where control of gene expression levels is desirable. An advantage of the present invention is that it provides a means to regulate gene expression and to tailor expression levels to suit the user's requirements.

  本发明提供了用于基于蜕皮激素受体的诱导基因表达系统的二酰肼配体和手性二酰肼配体。因此，本发明适用于基因治疗、大规模蛋白质和抗体生产、基于细胞的筛选分析、功能基因组学、蛋白质组学、代谢组学和转基因生物特征调控等应用中，其中需要控制基因表达水平。本发明的优点在于提供了一种调节基因表达并根据用户要求定制表达水平的手段。
• Crystalline Diacylhydrazine and the Use Thereof
  申请人：Hormann Robert E.

  公开号：US20130079413A1

  公开（公告）日：2013-03-28

  The present disclosure provides crystalline polymorphic and amorphous forms of (R)-3,5-dimethyl-benzoic acid N-(1-tert-butyl-butyl)-N′-(2-ethyl-3-methoxy-benzoyl)-hydrazide (Compound 1) or (S)-3,5-dimethyl-benzoic acid N-(1-tert-butyl-butyl)-N′-(2-ethyl-3-methoxy-benzoyl)-hydrazide (Compound 2). The present disclosure further provides compositions comprising crystalline polymorphic and amorphous forms of Compound 1 or Compound 2 and an excipient, methods of making crystalline polymorphic or amorphous forms of Compound 1 or Compound 2, and methods of using crystalline polymorphic or amorphous forms of Compound 1 or Compound 2 to regulate gene expression in a cell or in a subject.

  本公开提供(R)-3,5-二甲基苯甲酸N-(1-叔丁基丁基)-N'-(2-乙基-3-甲氧基苯甲酰)-肼(化合物1)或(S)-3,5-二甲基苯甲酸N-(1-叔丁基丁基)-N'-(2-乙基-3-甲氧基苯甲酰)-肼(化合物2)的结晶多态和非晶态形式。本公开还提供包含化合物1或化合物2的结晶多态和非晶态形式及赋形剂的组合物，制备化合物1或化合物2的结晶多态或非晶态形式的方法，以及使用化合物1或化合物2的结晶多态或非晶态形式在细胞或主体中调节基因表达的方法。
• Chiral diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex
  申请人：Hormann Robert Eugene

  公开号：US20090163592A1

  公开（公告）日：2009-06-25

  The present invention provides diacylhydrazine ligands and chiral diacylhydrazine ligands for use with ecdysone receptor-based inducible gene expression systems. Thus, the present invention is useful for applications such as gene therapy, large scale production of proteins and antibodies, cell-based screening assays, functional genomics, proteomics, metabolomics, and regulation of traits in transgenic organisms, where control of gene expression levels is desirable. An advantage of the present invention is that it provides a means to regulate gene expression and to tailor expression levels to suit the user's requirements.

  本发明提供了用于基于蜕皮激素受体诱导基因表达系统的二酰肼配体和手性二酰肼配体。因此，本发明可用于基因治疗、大规模蛋白质和抗体生产、细胞筛选分析、功能基因组学、蛋白质组学、代谢组学和转基因生物特征调控等应用中，其中需要控制基因表达水平。本发明的优点是提供了一种调节基因表达并根据用户要求调整表达水平的手段。
• CHIRAL DIACHYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX
  申请人：Intrexon Corporation

  公开号：EP3357904A1

  公开（公告）日：2018-08-08

  The present invention provides diacylhydrazine ligands and chiral diacylhydrazine ligands for use with ecdysone receptor-based inducible gene expression systems. Thus, the present invention is useful for applications such as gene therapy, large scale production of proteins and antibodies, cell-based screening assays, functional genomics, proteomics, metabolomics, and regulation of traits in transgenic organisms, where control of gene expression levels is desirable. An advantage of the present invention is that it provides a means to regulate gene expression and to tailor expression levels to suit the user's requirements.

  本发明提供了二酰肼配体和手性二酰肼配体，可用于基于蜕皮激素受体的诱导基因表达系统。因此，本发明可用于基因治疗、蛋白质和抗体的大规模生产、基于细胞的筛选测定、功能基因组学、蛋白质组学、代谢组学以及转基因生物的性状调控等应用，在这些应用中，需要对基因表达水平进行控制。本发明的一个优点是提供了一种调节基因表达和定制表达水平以满足用户要求的方法。
• Crystalline diacylhydrazine and the use thereof
  申请人：Intrexon Corporation

  公开号：US10501405B2

  公开（公告）日：2019-12-10

  The present disclosure provides crystalline polymorphic and amorphous forms of (R)-3,5-dimethyl-benzoic acid N-(1-tert-butyl-butyl)-N′-(2-ethyl-3-methoxy-benzoyl)-hydrazide (Compound 1) or (S)-3,5-dimethyl-benzoic acid N-(1-tert-butyl-butyl)-N′-(2-ethyl-3-methoxy-benzoyl)-hydrazide (Compound 2). The present disclosure further provides compositions comprising crystalline polymorphic and amorphous forms of Compound 1 or Compound 2 and an excipient, methods of making crystalline polymorphic or amorphous forms of Compound 1 or Compound 2, and methods of using crystalline polymorphic or amorphous forms of Compound 1 or Compound 2 to regulate gene expression in a cell or in a subject.

  本公开提供了(R)-3,5-二甲基苯甲酸 N-(1-叔丁基-丁基)-N′-(2-乙基-3-甲氧基-苯甲酰基)-酰肼(化合物 1)或(S)-3,5-二甲基苯甲酸 N-(1-叔丁基-丁基)-N′-(2-乙基-3-甲氧基-苯甲酰基)-酰肼(化合物 2)的结晶多晶型和无定形型。本公开进一步提供了包含化合物1或化合物2的结晶多晶型和无定形型以及赋形剂的组合物，制造化合物1或化合物2的结晶多晶型或无定形型的方法，以及使用化合物1或化合物2的结晶多晶型或无定形型调节细胞或受试者中基因表达的方法。