WSS2219 | 634911-67-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: WSS2219
• 英文别名: (3S,6S,9S,12S)-3-benzyl-9,12-di-sec-butyl-6-((2S,3R)-3-hydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-2,5,8,11-tetraone；(3S,6S,9S,12S)-3-benzyl-9,12-bis[(2S)-butan-2-yl]-6-[(2S,3R)-3-hydroxybutan-2-yl]-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
• CAS: 634911-67-4
• 化学式: C₂₇H₄₂N₄O₅
• 分子量: 502.654
• InChiKey: PCZVRCIZMAPKOI-HMHHHFJXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  137
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  WSS2219 在 盐酸 、 水 作用下， 反应 12.0h， 生成 (3S,4S,5R)-3-amino-4,5-dimethyltetrahydro-2-furanone
  参考文献：
  名称：

  New cyclic tetrapeptides from Nonomuraea sp. TA-0426 that inhibit glycine transporter type 1 (GlyT1)

  摘要：

  In the course of our search for natural antipsychotic agents, we isolated five new cyclic tetrapeptides from the fermentation broth of Nonomuraea sp. TA-0426. These compounds turned out to be analogues of WSS2220, which had been produced by the same actinomycete and showed strong inhibitory activity against GlyT1. Four of the present peptides exhibit more potent GlyT1 inhibitory activities than WSS2220. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.104

文献信息

• New cyclic tetrapeptides from Nonomuraea sp. TA-0426 that inhibit glycine transporter type 1 (GlyT1)
  作者：Yuichi Terui、Yi-wen Chu、Jun-ying Li、Tsutomu Ando、Takuya Fukunaga、Takeshi Aoki、Yoshihisa Toda

  DOI：10.1016/j.bmcl.2008.10.104

  日期：2008.12

  In the course of our search for natural antipsychotic agents, we isolated five new cyclic tetrapeptides from the fermentation broth of Nonomuraea sp. TA-0426. These compounds turned out to be analogues of WSS2220, which had been produced by the same actinomycete and showed strong inhibitory activity against GlyT1. Four of the present peptides exhibit more potent GlyT1 inhibitory activities than WSS2220. (C) 2008 Elsevier Ltd. All rights reserved.