3-isobutyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one | 1348106-28-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-isobutyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
• 英文别名: 3-isobutyl-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol；6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-1H-indazol-4-one
• CAS: 1348106-28-4
• 化学式: C₁₃H₂₀N₂O
• 分子量: 220.315
• InChiKey: TYIUTBKFKIBAFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  45.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  diethyl (2S)-2-[3-[5-[[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]methyl]-1-methylimidazol-2-yl]propyl]butanedioate 在 一水合肼 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.2h， 生成 、 3-isobutyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
  参考文献：
  名称：

  有效使用Dmab保护基：固相合成N-连接糖肽的应用†

  摘要：

  据报道，有一种有效的方法可以化学选择性去除固相上的Dmab酯。该方法已成功用于N-连接糖肽的聚合固相合成。

  DOI：

  10.1039/b821051a

文献信息

• IMPROVED SINGLE MOLECULE PEPTIDE SEQUENCING
  申请人：Board of Regents, The University of Texas System

  公开号：EP3543703A1

  公开（公告）日：2019-09-25

  The present invention relates to the field of identifying proteins and peptides, and more specifically large-scale sequencing of single peptides in a mixture of diverse peptides at the single molecule level. The present invention also relates to methods for identifying amino acids in peptides, including peptides comprising unnatural amino acids. In one embodiment, the present invention contemplates labeling the N-terminal amino acid with a first label and labeling an internal amino acid with a second label. In some embodiments, the labels are fluorescent labels. In other embodiments, the internal amino acid is Lysine. In other embodiments, amino acids in peptides are identified based on the fluorescent signature for each peptide at the single molecule level.

  本发明涉及蛋白质和肽的鉴定领域，更具体地说是在单分子水平上对多种肽混合物中的单个肽进行大规模测序。本发明还涉及识别肽中氨基酸的方法，包括包含非天然氨基酸的肽。在一个实施方案中，本发明考虑用第一标签标记 N 端氨基酸，用第二标签标记内部氨基酸。在某些实施方案中，标签是荧光标签。在其他实施方案中，内部氨基酸是赖氨酸。在其他实施方案中，肽中的氨基酸是根据单分子水平上每个肽的荧光特征来识别的。
• Single molecule peptide sequencing
  申请人：BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

  公开号：US10545153B2

  公开（公告）日：2020-01-28

  Identifying proteins and peptides, and more specifically large-scale sequencing of single peptides in a mixture of diverse peptides at the single molecule level is an unmet challenge in the field of protein sequencing. Herein are methods for identifying amino acids in peptides, including peptides with one or more unnatural amino acids. In one embodiment, the N-terminal amino acid is labeled with a first label and an internal amino acid is labeled with a second label. In some embodiments, the labels are fluorescent labels. In other embodiments, the internal amino acid is Lysine. In other embodiments, amino acids in peptides are identified based on the fluorescent signature for each peptide at the single molecule level.

  识别蛋白质和肽，更具体地说，在单分子水平上对多种肽混合物中的单个肽进行大规模测序，是蛋白质测序领域尚未解决的难题。本文提出了识别肽中氨基酸的方法，包括具有一个或多个非天然氨基酸的肽。在一个实施方案中，用第一标签标记 N 端氨基酸，用第二标签标记内部氨基酸。在某些实施方案中，标签是荧光标签。在其他实施方案中，内部氨基酸是赖氨酸。在其他实施方案中，根据单分子水平上每个肽的荧光特征识别肽中的氨基酸。
• SINGLE MOLECULE PEPTIDE SEQUENCING
  申请人：BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

  公开号：US20170276686A1

  公开（公告）日：2017-09-28

  The present invention relates to the field of identifying proteins and peptides, and more specifically large-scale sequencing of single peptides in a mixture of diverse peptides at the single molecule level. The present invention also relates to methods for identifying amino acids in peptides, including peptides comprising unnatural amino acids. In one embodiment, the present invention contemplates labeling the N-terminal amino acid with a first label and labeling an internal amino acid with a second label. In some embodiments, the labels are fluorescent labels. In other embodiments, the internal amino acid is Lysine. In other embodiments, amino acids in peptides are identified based on the fluorescent signature for each peptide at the single molecule level.