ZINC00042809 | 31122-64-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: ZINC00042809
• 英文别名: 5140069；1-(N,N-phthaloyl-β-alanyl)-piperidine；1-(N,N-Phthaloyl-β-alanyl)-piperidin；2-(3-Oxo-3-piperidin-1-yl-propyl)-isoindole-1,3-dione；2-(3-oxo-3-piperidin-1-ylpropyl)isoindole-1,3-dione
• CAS: 31122-64-2
• 化学式: C₁₆H₁₈N₂O₃
• mdl: MFCD00266418
• 分子量: 286.331
• InChiKey: PZEXMHGVMUYUBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  57.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(N-苯二甲酰亚氨基)丙酸 在 哌啶 、 乙酸乙酯 、 三乙胺 作用下， 生成 ZINC00042809
  参考文献：
  名称：

  关于活化的酯。三，氨基酸和肽衍生物的活化酯与胺和氨基酸酯的反应

  摘要：

  使许多氨基酸和肽衍生物的活化酯与各种有机胺，包括氨基酸酯反应。获得的良好收率和温和的反应条件使得活化的酯化酰化方法似乎可以在肽合成中很好地使用。芳香胺和仲胺的氨解仅缓慢进行，但是通过强叔胺和酸的催化作用可大大促进该反应。

  DOI：

  10.1002/hlca.19550380111

文献信息

• METHODS OF IDENTIFYING AND TREATING IMMUNE CHECKPOINT INHIBITOR-RESPONSIVE NEOPLASMS AND CELLS, TRANSGENIC ANIMALS AND KITS FOR USE THEREIN
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US20190085404A1

  公开（公告）日：2019-03-21

  Provided are methods of identifying whether a subject having cancer will be responsive to agents that combat immune evasion, such as immune checkpoint inhibitors. Methods of treating a subject having cancer are also provided. Such methods may include those that involve identifying whether the cancer will be responsive to an immune checkpoint inhibitor and/or is an immune-evasive cancer and administering an agent, e.g., an immune checkpoint inhibitor and/or a MYC inhibitor, to the subject to treat the cancer. Also provided are methods of identifying cancer therapeutics that are effective during MYC-regulated immune evasion as well as cancer cell lines and transgenic animals useful in such methods. Kits for use in the described methods are also provided.
• Über aktivierte Ester. III. Umsetzungen aktivierter Ester von Aminosäure- und Peptid-Derivaten mit Aminen und Aminosäureestern
  作者：R. Schwyzer、M. Feurer、B. Iselin

  DOI：10.1002/hlca.19550380111

  日期：——

  A number of activated esters of amino acid and peptide derivatives were reacted with various organic amines, including amino acid esters. The good yields obtained, and the mild reaction conditions make it seem possible that the activated ester method of acylation may be of good use in peptide synthesis. Aminolysis by aromatic amines and by secondary amines proceeds only slowly, but the reaction can

  使许多氨基酸和肽衍生物的活化酯与各种有机胺，包括氨基酸酯反应。获得的良好收率和温和的反应条件使得活化的酯化酰化方法似乎可以在肽合成中很好地使用。芳香胺和仲胺的氨解仅缓慢进行，但是通过强叔胺和酸的催化作用可大大促进该反应。