3,3-二甲氧基-N-丙基丙烷-1-胺 | 59066-90-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,3-二甲氧基-N-丙基丙烷-1-胺
• 英文名称: (3,3-dimethoxypropyl)propylamine
• 英文别名: β-Propylamino-propionaldehyd-dimethylacetal；3,3-Dimethoxy-N-propylpropan-1-amine；3,3-dimethoxy-N-propylpropan-1-amine
• CAS: 59066-90-9
• 化学式: C₈H₁₉NO₂
• 分子量: 161.244
• InChiKey: ZNLWSJYZRSCVEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,3-二甲氧基-N-丙基丙烷-1-胺 在 盐酸 作用下， 生成 3-propylamino-propionaldehyde
  参考文献：
  名称：

  Voet, Bulletin de la Societe Chimique de France, 1929, vol. <4>45, p. 66

  摘要：

  DOI：
• 作为产物：
  描述：

  正丙胺 、 1-溴-3,3-二甲氧基丙烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3,3-二甲氧基-N-丙基丙烷-1-胺
  参考文献：
  名称：

  Structure-Based Design of Novel, Urea-Containing FKBP12 Inhibitors

  摘要：

  The structure-based design and subsequent chemical synthesis of novel, urea-containing FKBP12 inhibitors are described. These compounds are shown to disrupt the cis-trans peptidylprolyl isomerase activity of FKBP12 with inhibition constants (K-i,K-app) approaching 0.10 mu M. Analyses of several X-ray crystal structures of FKBP12-urea complexes demonstrate that the urea-containing inhibitors associate with FKBP12 in a manner that is similar to, but significantly different from, that observed for the natural product FK506.

  DOI：

  10.1021/jm950798a

文献信息

• Structure-Based Design of Novel, Urea-Containing FKBP12 Inhibitors
  作者：Peter S. Dragovich、John E. Barker、Judy French、Michael Imbacuan、Vincent J. Kalish、Charles R. Kissinger、Daniel R. Knighton、Cristina T. Lewis、Ellen W. Moomaw、Hans E. Parge、Laura A. K. Pelletier、Thomas J. Prins、Richard E. Showalter、John H. Tatlock、Kathleen D. Tucker、J. Ernest Villafranca

  DOI：10.1021/jm950798a

  日期：1996.1.1

  The structure-based design and subsequent chemical synthesis of novel, urea-containing FKBP12 inhibitors are described. These compounds are shown to disrupt the cis-trans peptidylprolyl isomerase activity of FKBP12 with inhibition constants (K-i,K-app) approaching 0.10 mu M. Analyses of several X-ray crystal structures of FKBP12-urea complexes demonstrate that the urea-containing inhibitors associate with FKBP12 in a manner that is similar to, but significantly different from, that observed for the natural product FK506.
• Voet, Bulletin de la Societe Chimique de France, 1929, vol. <4>45, p. 66
  作者：Voet

  DOI：——

  日期：——