tert-butyl N-{[2-(benzylthio)-4-oxopyrimidin-1(4H)-yl]acetyl}-N-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethyl)glycinate | 473894-78-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: tert-butyl N-{[2-(benzylthio)-4-oxopyrimidin-1(4H)-yl]acetyl}-N-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethyl)glycinate
• 英文别名: tert-butyl N-{[2-(benzylthio)4-oxopyrimidin-1 (4-H)-yl]acetyl}-N-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethyl)-glycinate；tert-butyl 2-[[2-(2-benzylsulfanyl-4-oxopyrimidin-1-yl)acetyl]-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetate
• CAS: 473894-78-9
• 化学式: C₃₆H₃₈N₄O₆S
• 分子量: 654.787
• InChiKey: VEESLQMVBYYIJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  47
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  143
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl N-{[2-(benzylthio)-4-oxopyrimidin-1(4H)-yl]acetyl}-N-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethyl)glycinate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 N-{[2-(benzylthio)-4-oxopyrimidin-1(4H)-yl]acetyl}-N-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethyl)glycine
  参考文献：
  名称：

  Protein-Cleaving Catalyst Selective for Protein Substrate

  摘要：

  [GRAPHICS]A protein-cleaving catalyst specific for a disease-related protein can be used as a catalytic drug. As the first Protein-cleaving catalyst selective for a protein substrate, a catalyst for myoglobin was designed by attaching Cu(II) or Co(III) complex of cyclen to a binding site searched by a combinatorial method using peptide nucleic acid monomers as building units.

  DOI：

  10.1021/ol0269300
• 作为产物：
  描述：

  tert-butyl N-[2-(N-9-fluorenylmethoxycarbonyl)aminoethyl]glycinate hydrochloride 、 [2-(benzylthio)-4-oxopyrimidin-1(4H)-yl]acetic acid 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 tert-butyl N-{[2-(benzylthio)-4-oxopyrimidin-1(4H)-yl]acetyl}-N-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethyl)glycinate
  参考文献：
  名称：

  Protein-Cleaving Catalyst Selective for Protein Substrate

  摘要：

  [GRAPHICS]A protein-cleaving catalyst specific for a disease-related protein can be used as a catalytic drug. As the first Protein-cleaving catalyst selective for a protein substrate, a catalyst for myoglobin was designed by attaching Cu(II) or Co(III) complex of cyclen to a binding site searched by a combinatorial method using peptide nucleic acid monomers as building units.

  DOI：

  10.1021/ol0269300

文献信息

• Synthetic catalyst for selective cleavage of protein and method for selective cleavage of protein using the same
  申请人：Artzyme Biotech Corporation

  公开号：US20020165365A1

  公开（公告）日：2002-11-07

  The present invention relates to a synthetic catalyst of the following formula (A) which can selectively recognize and cleave a specific protein among a protein mixture, and to a method for selective cleavage of a target protein using the same: (R)(Z) n (A) in which n denotes an integer of 1 or more, R represents a material capable of selectively recognizing and binding a target protein, and Z represents a metal ion-ligand complex.

  本发明涉及以下式(A)的合成催化剂，该催化剂可以在蛋白质混合物中选择性地识别和裂解特定的蛋白质，并且涉及使用该催化剂进行目标蛋白质的选择性裂解的方法： (R)(Z)n(A) 其中，n表示1或更多的整数，R代表能够选择性地识别和结合目标蛋白质的材料，Z代表金属离子配合物。
• Protein-Cleaving Catalyst Selective for Protein Substrate
  作者：Joong Won Jeon、Sang Jun Son、Chang Eun Yoo、In Seok Hong、Jung Bae Song、Junghun Suh

  DOI：10.1021/ol0269300

  日期：2002.11.1

  [GRAPHICS]A protein-cleaving catalyst specific for a disease-related protein can be used as a catalytic drug. As the first Protein-cleaving catalyst selective for a protein substrate, a catalyst for myoglobin was designed by attaching Cu(II) or Co(III) complex of cyclen to a binding site searched by a combinatorial method using peptide nucleic acid monomers as building units.