N,N-bis(thiophen-2-ylmethyl)tryptamine | 1310826-93-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N,N-bis(thiophen-2-ylmethyl)tryptamine
• 英文别名: N,N-Bis(thiophen-2-yl-methyl)tryptamine；2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine
• CAS: 1310826-93-7
• 化学式: C₂₀H₂₀N₂S₂
• 分子量: 352.524
• InChiKey: VZPRVHWAOUDREB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  75.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-bis(thiophen-2-ylmethyl)tryptamine 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 反应 0.17h， 以83%的产率得到2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide
  参考文献：
  名称：

  Tryptamine derivatives as novel non-nucleosidic inhibitors against hepatitis B virus

  摘要：

  A series of tryptamine derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activity and cytotoxicity in the HepG2.2.15 cell line. The preliminary SAR was discussed. Compounds 2e and 4a showed potent antiviral activity (IC(50) = 0.4 and < 1 mu M, respectively) and low cytotoxicity (CC(50) = 40.6 and > 25 mu M, respectively). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.04.004
• 作为产物：
  描述：

  2-噻吩甲醛 、 色胺 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 以82%的产率得到N,N-bis(thiophen-2-ylmethyl)tryptamine
  参考文献：
  名称：

  Tryptamine derivatives as novel non-nucleosidic inhibitors against hepatitis B virus

  摘要：

  A series of tryptamine derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activity and cytotoxicity in the HepG2.2.15 cell line. The preliminary SAR was discussed. Compounds 2e and 4a showed potent antiviral activity (IC(50) = 0.4 and < 1 mu M, respectively) and low cytotoxicity (CC(50) = 40.6 and > 25 mu M, respectively). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.04.004

文献信息

• Tryptamine derivatives as novel non-nucleosidic inhibitors against hepatitis B virus
  作者：Shi-Jin Qu、Gui-Feng Wang、Wen-Hu Duan、Shan-Yan Yao、Jian-Ping Zuo、Chang-Heng Tan、Da-Yuan Zhu

  DOI：10.1016/j.bmc.2011.04.004

  日期：2011.5

  A series of tryptamine derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activity and cytotoxicity in the HepG2.2.15 cell line. The preliminary SAR was discussed. Compounds 2e and 4a showed potent antiviral activity (IC(50) = 0.4 and < 1 mu M, respectively) and low cytotoxicity (CC(50) = 40.6 and > 25 mu M, respectively). (C) 2011 Elsevier Ltd. All rights reserved.