(R)-2-amino-3-((4-methoxyphenyl)diphenylmethylthio)propan-1-ol | 1338701-15-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (R)-2-amino-3-((4-methoxyphenyl)diphenylmethylthio)propan-1-ol
• 英文别名: NSC 757880；(2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol
• CAS: 1338701-15-7
• 化学式: C₂₃H₂₅NO₂S
• 分子量: 379.523
• InChiKey: WKYHDWRETJHQFE-OAQYLSRUSA-N

物化性质

• 溶解度：
  乙醇中≤1mg/ml；DMSO 中≤25mg/ml；二甲基甲酰胺中≤5mg/ml

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  80.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  S-<4-monomethoxytrityl>-(L)-cysteine 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 以74%的产率得到(R)-2-amino-3-((4-methoxyphenyl)diphenylmethylthio)propan-1-ol
  参考文献：
  名称：

  Selective inhibitors of EG5 motors and methods of use

  摘要：

  本发明实施例包括公式I的化合物或其对映体、非对映体、立体异构体或其药学上可接受的盐，使用方法和合成方法。

  公开号：

  US08349899B1

文献信息

• Synthesis and characterization of tritylthioethanamine derivatives with potent KSP inhibitory activity
  作者：Delany Rodriguez、Chinnasamy Ramesh、Lauren H. Henson、Lori Wilmeth、Bj K. Bryant、Samuel Kadavakollu、Rebecca Hirsch、Johnelle Montoya、Porsha R. Howell、Jon M. George、David Alexander、Dennis L. Johnson、Jeffrey B. Arterburn、Charles B. Shuster

  DOI：10.1016/j.bmc.2011.07.054

  日期：2011.9

  Assembly of a bipolar mitotic spindle requires the action of class 5 kinesins, and inhibition or depletion of this motor results in mitotic arrest and apoptosis. S-Trityl-L-cysteine is an allosteric inhibitor of vertebrate Kinesin Spindle Protein (KSP) that has generated considerable interest due to its anti-cancer properties, however, poor pharmacological properties have limited the use of this compound. We have modified the triphenylmethyl and cysteine groups, guided by biochemical and cell-based assays, to yield new cysteinol and cysteamine derivatives with increased inhibitory activity, greater efficacy in model systems, and significantly enhanced potency against the NCI60 tumor panel. These results reveal a promising new class of conformationally-flexible small molecules as allosteric KSP inhibitors for use as research tools, with activities that provide impetus for further development as anti-tumor agents. (C) 2011 Elsevier Ltd. All rights reserved.
• US8349899B1
  申请人：——

  公开号：US8349899B1

  公开（公告）日：2013-01-08
• US8765817B1
  申请人：——

  公开号：US8765817B1

  公开（公告）日：2014-07-01
• Selective inhibitors of EG5 motors and methods of use
  申请人：Arrowhead Center, Inc.

  公开号：US08349899B1

  公开（公告）日：2013-01-08

  Embodiments of the present invention comprises a compound of formula I or its enantiomer, diastereomer, stereoisomer or its pharmaceutically acceptable salt, methods of use and methods of synthesis.

  本发明实施例包括公式I的化合物或其对映体、非对映体、立体异构体或其药学上可接受的盐，使用方法和合成方法。