N-(1-Hydroxymethyl-cyclopentyl)-3-methoxy-2-methyl-benzamide | 551964-05-7

• 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-cyclopentyl)-3-methoxy-2-methyl-benzamide
• 英文别名: N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-2-methylbenzamide
• CAS: 551964-05-7
• 化学式: C₁₅H₂₁NO₃
• 分子量: 263.337
• InChiKey: GZIOGUOIMJIYFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.04
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  58.56
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-(1-Hydroxymethyl-cyclopentyl)-3-methoxy-2-methyl-benzamide 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 生成 N-(1-Formyl-cyclopentyl)-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：

  环亮氨酸 在 吡啶 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 生成 N-(1-Hydroxymethyl-cyclopentyl)-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