(S)-1-(3-Hexyl-[1,2,4]oxadiazol-5-yl)-2-(1H-indol-3-yl)-ethylamine | 244211-55-0

• 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: (S)-1-(3-Hexyl-[1,2,4]oxadiazol-5-yl)-2-(1H-indol-3-yl)-ethylamine
• 英文别名: (1S)-1-(3-hexyl-1,2,4-oxadiazol-5-yl)-2-(1H-indol-3-yl)ethanamine
• CAS: 244211-55-0
• 化学式: C₁₈H₂₄N₄O
• 分子量: 312.415
• InChiKey: XOVPKWOBNQSNIX-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  80.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-1-(3-Hexyl-[1,2,4]oxadiazol-5-yl)-2-(1H-indol-3-yl)-ethylamine 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 Phosphoric acid mono-(4-{(S)-2-acetylamino-2-[(S)-1-(3-hexyl-[1,2,4]oxadiazol-5-yl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-ethyl}-phenyl) ester
  参考文献：
  名称：

  Structure-activity relationships of a novel class of Src SH2 inhibitors

  摘要：

  The structure-activity relationships (SAR) of a novel class of Src SH2 inhibitors are described. Variation at the pY+1 and pY+3 side chain positions using 2,4- and 2,5-substituted thiazoles and 1,2,4-oxadiazoles as scaffolds resulted in inhibitors that bound as well as the standard tetrapeptide Ac-pYEEI-NH2. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00389-3
• 作为产物：
  描述：

  BOC-L-色氨酸羟基琥珀酰亚胺酯 在 吡啶 、 三氟乙酸 作用下， 以 乙二醇二甲醚 、 二氯甲烷 为溶剂， 生成 (S)-1-(3-Hexyl-[1,2,4]oxadiazol-5-yl)-2-(1H-indol-3-yl)-ethylamine
  参考文献：
  名称：

  Structure-activity relationships of a novel class of Src SH2 inhibitors

  摘要：

  The structure-activity relationships (SAR) of a novel class of Src SH2 inhibitors are described. Variation at the pY+1 and pY+3 side chain positions using 2,4- and 2,5-substituted thiazoles and 1,2,4-oxadiazoles as scaffolds resulted in inhibitors that bound as well as the standard tetrapeptide Ac-pYEEI-NH2. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00389-3

文献信息

• Structure-activity relationships of a novel class of Src SH2 inhibitors
  作者：John L. Buchanan、Chi B. Vu、Taylor J. Merry、Evelyn G. Corpuz、Selvaluxmi G. Pradeepan、Ukti N. Mani、Michael Yang、Hilary R. Plake、Vaibhav M. Varkhedkar、Berkley A. Lynch、Ian A. MacNeil、Kara A. Loiacono、Choi Lai Tiong、Dennis A. Holt

  DOI：10.1016/s0960-894x(99)00389-3

  日期：1999.8

  The structure-activity relationships (SAR) of a novel class of Src SH2 inhibitors are described. Variation at the pY+1 and pY+3 side chain positions using 2,4- and 2,5-substituted thiazoles and 1,2,4-oxadiazoles as scaffolds resulted in inhibitors that bound as well as the standard tetrapeptide Ac-pYEEI-NH2. (C) 1999 Elsevier Science Ltd. All rights reserved.