2,2-diaminoacetic acid | 103711-21-3

• 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: 2,2-diaminoacetic acid
• 英文别名: Diaminoacetic acid
• CAS: 103711-21-3
• 化学式: C₂H₆N₂O₂
• 分子量: 90.0818
• InChiKey: MAEDLSNGVQYGPK-UHFFFAOYSA-N

物化性质

• 沸点：
  321.7±37.0 °C(Predicted)
• 密度：
  1.409±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -4.2
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  89.3
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-diaminoacetic acid 、 2,5-dioxopyrrolidin-1-yl propiolate 以 aq. phosphate buffer 、 乙醇 为溶剂， 反应 8.0h， 以76%的产率得到2,2-dipropiolamidoacetic acid
  参考文献：
  名称：

  [EN] CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS
  [FR] LIEURS DE CONJUGAISON, CONJUGUÉS MÉDICAMENT-MOLÉCULE DE LIAISON À UNE CELLULE CONTENANT LESDITS LIEURS, PROCÉDÉS DE PRÉPARATION ET D'UTILISATION DE TELS CONJUGUÉS AVEC LES LIEURS

  摘要：

  本发明涉及具有丙炔基、取代丙烯酰（丙烯酰）或二取代丙酰基的连接剂，并使用这些连接剂将化合物，特别是细胞毒性药剂，与细胞结合分子结合。

  公开号：

  WO2018086139A1
• 作为产物：
  描述：

  benzyl N-[(2S)-1-[[(1R)-1,2-diamino-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate 在 盐酸 、 水 、 苯酚 作用下， 反应 17.0h， 生成 2,2-diaminoacetic acid 、 L-苯丙氨酸
  参考文献：
  名称：

  Identification of new peptide amides as selective cathepsin L inhibitors: The first step towards selective irreversible inhibitors?

  摘要：

  A small library of peptide amides was designed to profile the cathepsin L active site. Within the cathepsin family of cysteine proteases, the first round of selection was on cathepsin L and cathepsin B, and then selected hits were further evaluated for binding to cathepsin K and cathepsin S. Five highly selective sequences with submicromolar affinities towards cathepsin L were identified. An acyloxymethyl ketone warhead was then attached to these sequences. Although these original irreversible inhibitors inactivate cathepsin L, it appears that the nature of the warhead drastically impact the selectivity profile of the resulting covalent inhibitors. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.03.041

文献信息

• [EN] CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS<br/>[FR] LIEURS DE CONJUGAISON, CONJUGUÉS MÉDICAMENT-MOLÉCULE DE LIAISON À UNE CELLULE CONTENANT LESDITS LIEURS, PROCÉDÉS DE PRÉPARATION ET D'UTILISATION DE TELS CONJUGUÉS AVEC LES LIEURS
  申请人：HANGZHOU DAC BIOTECH CO LTD

  公开号：WO2018086139A1

  公开（公告）日：2018-05-17

  The present invention relates to linkers having a group of propiolyl, substituted acryl (acryloyl), or disubstituted propanoyl, and using such linkers for the conjugation of compounds, in particular, cytotoxic agents to a cell-binding molecule.

  本发明涉及具有丙炔基、取代丙烯酰（丙烯酰）或二取代丙酰基的连接剂，并使用这些连接剂将化合物，特别是细胞毒性药剂，与细胞结合分子结合。
• Identification of new peptide amides as selective cathepsin L inhibitors: The first step towards selective irreversible inhibitors?
  作者：Ana Torkar、Brigita Lenarčič、Tamara Lah、Vincent Dive、Laurent Devel

  DOI：10.1016/j.bmcl.2013.03.041

  日期：2013.5

  A small library of peptide amides was designed to profile the cathepsin L active site. Within the cathepsin family of cysteine proteases, the first round of selection was on cathepsin L and cathepsin B, and then selected hits were further evaluated for binding to cathepsin K and cathepsin S. Five highly selective sequences with submicromolar affinities towards cathepsin L were identified. An acyloxymethyl ketone warhead was then attached to these sequences. Although these original irreversible inhibitors inactivate cathepsin L, it appears that the nature of the warhead drastically impact the selectivity profile of the resulting covalent inhibitors. (C) 2013 Elsevier Ltd. All rights reserved.