2-(3-guanidinopropoxy)-N-(6-phenoxybenzothiazol-2-yl)benzamide | 1163857-84-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(3-guanidinopropoxy)-N-(6-phenoxybenzothiazol-2-yl)benzamide
• 英文别名: 2-(3-Guanidino-propoxy)-N-(6-phenoxy-benzothiazol-2-yl)-benzamide；2-[3-(diaminomethylideneamino)propoxy]-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
• CAS: 1163857-84-8
• 化学式: C₂₄H₂₃N₅O₃S
• 分子量: 461.544
• InChiKey: QBIFLSAZDLIDGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  153
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(3-[N',N''-bis(carbamic acid tert-butyl ester)]guanidinopropoxy)-N-(6-phenoxybenzothiazol-2-yl)benzamide 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 以53%的产率得到2-(3-guanidinopropoxy)-N-(6-phenoxybenzothiazol-2-yl)benzamide
  参考文献：
  名称：

  Low molecular weight non-peptide mimics of ω-conotoxin GVIA

  摘要：

  We report the synthesis and biological activity of a low molecular weight non-peptidic mimic of the analgesic peptide omega-conotoxin GVIA. The molecular weight of this compound presents a reduction by 193 g/mol compared to a previously reported lead. This compound exhibits an EC50 of 5.8 mu M and is accessible in only six synthetic steps compared to the original lead (13 steps). We also report several improvements to the original synthetic route. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.130

文献信息

• Low molecular weight non-peptide mimics of ω-conotoxin GVIA
  作者：Peter J. Duggan、Richard J. Lewis、Y. Phei Lok、Natalie G. Lumsden、Kellie L. Tuck、Aijun Yang

  DOI：10.1016/j.bmcl.2009.03.130

  日期：2009.5

  We report the synthesis and biological activity of a low molecular weight non-peptidic mimic of the analgesic peptide omega-conotoxin GVIA. The molecular weight of this compound presents a reduction by 193 g/mol compared to a previously reported lead. This compound exhibits an EC50 of 5.8 mu M and is accessible in only six synthetic steps compared to the original lead (13 steps). We also report several improvements to the original synthetic route. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.