(2E,2'E)-3,3'-(1,3-phenylene)bis(2-cyano-N-((S)-1-phenylethyl)acrylamide) | 1567834-34-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (2E,2'E)-3,3'-(1,3-phenylene)bis(2-cyano-N-((S)-1-phenylethyl)acrylamide)
• 英文别名: T5165804；(E)-2-cyano-3-[3-[(E)-2-cyano-3-oxo-3-[[(1S)-1-phenylethyl]amino]prop-1-enyl]phenyl]-N-[(1S)-1-phenylethyl]prop-2-enamide
• CAS: 1567834-34-7
• 化学式: C₃₀H₂₆N₄O₂
• 分子量: 474.562
• InChiKey: DDYBXSYIBASVAM-DXWBQHEBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (S)-(-)- α-甲基苄胺 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 (2E,2'E)-3,3'-(1,3-phenylene)bis(2-cyano-N-((S)-1-phenylethyl)acrylamide)
  参考文献：
  名称：

  Degrasyn-like symmetrical compounds: Possible therapeutic agents for multiple myeloma (MM-I)

  摘要：

  A series of degrasyn-like symmetrical compounds have been designed, synthesized, and screened against B cell malignancy (multiple myeloma, mantle cell lymphoma) cell lines. The lead compounds T5165804 and CP2005 showed higher nanomolar potency against these tumor cells in comparison to degrasyn and inhibited Usp9x activity in vitro and in intact cells. These observations suggest that this new class of compounds holds promise as cancer therapeutic agents. (C) 2014 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2013.12.048

文献信息

• Degrasyn-like symmetrical compounds: Possible therapeutic agents for multiple myeloma (MM-I)
  作者：Zhenghong Peng、David S. Maxwell、Duoli Sun、Basvoju A. Bhanu Prasad、Paul T. Schuber、Ashutosh Pal、Yunming Ying、Dongmei Han、Liwei Gao、Shimei Wang、Alexander Levitzki、Vaibhav Kapuria、Moshe Talpaz、Matthew Young、Hollis D. Showalter、Nicholas J. Donato、William G. Bornmann

  DOI：10.1016/j.bmc.2013.12.048

  日期：2014.2

  A series of degrasyn-like symmetrical compounds have been designed, synthesized, and screened against B cell malignancy (multiple myeloma, mantle cell lymphoma) cell lines. The lead compounds T5165804 and CP2005 showed higher nanomolar potency against these tumor cells in comparison to degrasyn and inhibited Usp9x activity in vitro and in intact cells. These observations suggest that this new class of compounds holds promise as cancer therapeutic agents. (C) 2014 Published by Elsevier Ltd.