benzyl N-[(1S)-1-(5-hexyl-1,3-thiazol-2-yl)propyl]carbamate | 247259-13-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl N-[(1S)-1-(5-hexyl-1,3-thiazol-2-yl)propyl]carbamate
• CAS: 247259-13-8
• 化学式: C₂₀H₂₈N₂O₂S
• 分子量: 360.521
• InChiKey: SXHPYKYWKDVSQQ-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  79.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzyl N-[(1S)-1-(5-hexyl-1,3-thiazol-2-yl)propyl]carbamate 在 palladium on activated charcoal 甲酸铵 、 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 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (2S)-2-acetamido-N-[(1S)-1-(5-hexyl-1,3-thiazol-2-yl)propyl]-3-[4-[oxido-bis(phenylmethoxy)phosphaniumyl]oxyphenyl]propanamide
  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：

  1-amino-octan-2-one; hydrochloride 在 劳森试剂 、 三乙胺 作用下， 以 四氢呋喃 、 乙二醇二甲醚 为溶剂， 生成 benzyl N-[(1S)-1-(5-hexyl-1,3-thiazol-2-yl)propyl]carbamate
  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.