N-Ac-DEVD-N'-octyloxycarbonyl-R110

• 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: N-Ac-DEVD-N'-octyloxycarbonyl-R110
• 英文别名: (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[6'-(octoxycarbonylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
• 化学式: C₄₉H₅₈N₆O₁₆
• 分子量: 987.03
• InChiKey: DYXWECGQPCYRSO-JWDQLSGJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  71
• 可旋转键数：
  26
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  331
• 氢给体数：
  9
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  氯甲酸正辛酯 在 吡啶 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-Ac-DEVD-N'-octyloxycarbonyl-R110
  参考文献：
  名称：

  Design and synthesis of Rhodamine 110 derivative and Caspase-3 substrate for enzyme and cell-based fluorescent assay

  摘要：

  N-Octyloxycarbonyl-R110 (1), with enhanced cell penetration and retention properties, was prepared from rhodamine 110. The tetrapeptide substrate N-Ac-DEVD-N'-octyloxycarbonyl-R110 (3) was prepared and shown to be efficiently cleaved by human recombinant caspase-3 and by apoptotic HL-60 cells. This substrate should prove useful in cell-based assays for apoptosis inducers and inhibitors. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00590-4

文献信息

• Design and synthesis of Rhodamine 110 derivative and Caspase-3 substrate for enzyme and cell-based fluorescent assay
  作者：Sui Xiong Cai、Han-Zhong Zhang、John Guastella、John Drewe、Wu Yang、Eckard Weber

  DOI：10.1016/s0960-894x(00)00590-4

  日期：2001.1

  N-Octyloxycarbonyl-R110 (1), with enhanced cell penetration and retention properties, was prepared from rhodamine 110. The tetrapeptide substrate N-Ac-DEVD-N'-octyloxycarbonyl-R110 (3) was prepared and shown to be efficiently cleaved by human recombinant caspase-3 and by apoptotic HL-60 cells. This substrate should prove useful in cell-based assays for apoptosis inducers and inhibitors. (C) 2000 Elsevier Science Ltd. All rights reserved.