tert-butyl N-[3-[[4-[[2-[5-(dithiolan-3-yl)pentanoylamino]acetyl]amino]-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-3-oxopropyl]-7-oxoheptanoyl]amino]phenyl]carbamate | 671246-50-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫杂环戊烷
• 英文名称: tert-butyl N-[3-[[4-[[2-[5-(dithiolan-3-yl)pentanoylamino]acetyl]amino]-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-3-oxopropyl]-7-oxoheptanoyl]amino]phenyl]carbamate
• CAS: 671246-50-7
• 化学式: C₅₃H₇₄N₈O₁₁S₂
• 分子量: 1063.35
• InChiKey: ZJEQGKFNCAYLJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  74
• 可旋转键数：
  29
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  311
• 氢给体数：
  8
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[3-[[4-[[2-[5-(dithiolan-3-yl)pentanoylamino]acetyl]amino]-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-3-oxopropyl]-7-oxoheptanoyl]amino]phenyl]carbamate 在 三甲基氯硅烷 、 苯酚 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 1.5h， 以32%的产率得到4-[3-(3-aminoanilino)-3-oxopropyl]-N,N'-bis(3-aminophenyl)-4-[[2-[5-(dithiolan-3-yl)pentanoylamino]acetyl]amino]heptanediamide
  参考文献：
  名称：

  EP1726596

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl N-[3-[[4-[(2-aminoacetyl)amino]-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-3-oxopropyl]-7-oxoheptanoyl]amino]phenyl]carbamate 、 Thioctic acid 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 作用下， 以 二氯甲烷 为溶剂， 反应 36.0h， 以75%的产率得到tert-butyl N-[3-[[4-[[2-[5-(dithiolan-3-yl)pentanoylamino]acetyl]amino]-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-3-oxopropyl]-7-oxoheptanoyl]amino]phenyl]carbamate
  参考文献：
  名称：

  EP1726596

  摘要：

  公开号：

文献信息

• Carohydrate-Ligand Conjugates and Their Application for the Analysis of Carbohydrate-Protein Interaction
  申请人：Suda Yasuo

  公开号：US20070287195A1

  公开（公告）日：2007-12-13

  A novel ligand conjugate which is effectively utilizable for analyzing a function of a protein; a ligand-supporting object; and a method of analyzing a protein. The ligand conjugate has a structure which comprises: a linker compound having a structure represented by the following General Formula (1): (wherein n and p each is an integer of 0 to 6) in which X is a structure comprising one, two, or three hydrocarbon derivative chains which have an aromatic amino group at the end and may have a carbon-nitrogen bond in the main chain, Y is a hydro-carbon structure containing one or more sulfur atoms, and Z is a straight-chain structure comprising a carbon-carbon bond or carbon-oxygen bond; and a sugar which has a reducing end and is bonded to the linker compound through the aromatic amino group.
• CARBOHYDRATE-LIGAND CONJUGATES AND THEIR APPLICATION FOR THE ANALYSIS OF CARBOHYDRATE-PROTEIN INTERACTION
  申请人：Japan Science and Technology Agency

  公开号：US20140295566A1

  公开（公告）日：2014-10-02

  A novel ligand conjugate which is effectively utilizable for analyzing a function of a protein; a ligand-supporting object; and a method of analyzing a protein. The ligand conjugate has a structure which comprises: a linker compound having a structure represented by the following General Formula (1): (wherein n and p each is an integer of 0 to 6) in which X is a structure comprising one, two, or three hydrocarbon derivative chains which have an aromatic amino group at the end and may have a carbon-nitrogen bond in the main chain, Y is a hydro-carbon structure containing one or more sulfur atoms, and Z is a straight-chain structure comprising a carbon-carbon bond or carbon-oxygen bond; and a sugar which has a reducing end and is bonded to the linker compound through the aromatic amino group.
• US7320867B2
  申请人：——

  公开号：US7320867B2

  公开（公告）日：2008-01-22
• US8765384B2
  申请人：——

  公开号：US8765384B2

  公开（公告）日：2014-07-01