{[({2-[4-(3-Methylsulfanyl-propylcarbamoyl)-[2,4']bithiazolyl-2'-yl]-ethylcarbamoyl}-methyl)-carbamoyl]-methyl}-carbamic acid tert-butyl ester | 134604-40-3

• 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: {[({2-[4-(3-Methylsulfanyl-propylcarbamoyl)-[2,4']bithiazolyl-2'-yl]-ethylcarbamoyl}-methyl)-carbamoyl]-methyl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[2-[[2-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)thiazol-2-yl]-3H-thiazol-1-ium-2-yl]ethylamino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamate；tert-butyl N-[2-[[2-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
• CAS: 134604-40-3
• 化学式: C₂₂H₃₂N₆O₅S₃
• 分子量: 556.731
• InChiKey: QWUBUOXDKAWJQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  36
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  233
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  {[({2-[4-(3-Methylsulfanyl-propylcarbamoyl)-[2,4']bithiazolyl-2'-yl]-ethylcarbamoyl}-methyl)-carbamoyl]-methyl}-carbamic acid tert-butyl ester 在 二甲基硫 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2'-{2-[2-(2-{(2S,3R,4R)-4-[(2S,3R)-2-Amino-3-hydroxy-3-(1H-imidazol-4-yl)-propionylamino]-3-hydroxy-2-methyl-pentanoylamino}-acetylamino)-acetylamino]-ethyl}-[2,4']bithiazolyl-4-carboxylic acid (3-methylsulfanyl-propyl)-amide
  参考文献：
  名称：

  Polynucleotide recognition and strand scission by Fe-bleomycin

  摘要：

  The structural basis of sequence-selective DNA recognition by Fe-bleomycin (Fe.BLM) has been studied by the use of BLM congeners in which the two functional domains are separated by spacers of variable length. Fe.bleomycin has also been shown to recognize and cleave RNA, which may constitute a new target of therapeutic importance for BLM.

  DOI：

  10.1016/s0040-4020(01)81781-6
• 作为产物：
  描述：

  ({2-[4-(3-Methylsulfanyl-propylcarbamoyl)-[2,4']bithiazolyl-2'-yl]-ethylcarbamoyl}-methyl)-carbamic acid tert-butyl ester 在 二甲基硫 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 生成 {[({2-[4-(3-Methylsulfanyl-propylcarbamoyl)-[2,4']bithiazolyl-2'-yl]-ethylcarbamoyl}-methyl)-carbamoyl]-methyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Polynucleotide recognition and strand scission by Fe-bleomycin

  摘要：

  The structural basis of sequence-selective DNA recognition by Fe-bleomycin (Fe.BLM) has been studied by the use of BLM congeners in which the two functional domains are separated by spacers of variable length. Fe.bleomycin has also been shown to recognize and cleave RNA, which may constitute a new target of therapeutic importance for BLM.

  DOI：

  10.1016/s0040-4020(01)81781-6

文献信息

• Polynucleotide recognition and strand scission by Fe-bleomycin
  作者：Barbara J. Carter、Kalakota S. Reddy、Sidney M. Hecht

  DOI：10.1016/s0040-4020(01)81781-6

  日期：1991.1

  The structural basis of sequence-selective DNA recognition by Fe-bleomycin (Fe.BLM) has been studied by the use of BLM congeners in which the two functional domains are separated by spacers of variable length. Fe.bleomycin has also been shown to recognize and cleave RNA, which may constitute a new target of therapeutic importance for BLM.