1-[(Cyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid | 652172-88-8

• 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: 1-[(Cyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid
• 英文别名: 1-(cyclopropanecarbonylamino)cyclohexane-1-carboxylic acid
• CAS: 652172-88-8
• 化学式: C₁₁H₁₇NO₃
• mdl: MFCD09946618
• 分子量: 211.26
• InChiKey: LLXUWSJDODVIOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.818
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• [EN] 1-PHENYLPIPERIDIN-3-ONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF<br/>[FR] DERIVES DE LA 1-PHENYLPIPERIDIN-3-ONE ET LEURS PROCEDES DE PREPARATION
  申请人：YUHAN CORP

  公开号：WO2004011457A1

  公开（公告）日：2004-02-05

  The present invention provides 1-phenylpiperidin-3-one derivatives and pharmaceutically acceptable saltsthereof, having cysteine protease inhibitory activity, pharmaceutical compositions containing the sameas an active ingredient, and processes for the preparation thereof.

  本发明提供了1-苯基哌啶-3-酮衍生物及其药用盐，具有半胱氨酸蛋白酶抑制活性，包含相同作为活性成分的药物组合物，并提供了其制备方法。
• 1-Phenylpiperidin-3-one derivatives and processes for the preparation thereof
  申请人：Lee Wook Jong

  公开号：US20050234057A1

  公开（公告）日：2005-10-20

  Provided are 1-phenylpiperidin-3-one derivatives and pharmaceutically acceptable salts thereof, having cysteine protease inhibitory activity, pharmaceutical compositions containing the same as an active ingredient, and processes for the preparation thereof.

  本发明提供了1-苯基哌啶-3-酮衍生物及其药学上可接受的盐，具有半胱氨酸蛋白酶抑制活性，药物组合物包含其作为活性成分，并提供其制备方法。
• US7342027B2
  申请人：——

  公开号：US7342027B2

  公开（公告）日：2008-03-11
• [EN] MERGING C(SP3)-H ACTIVATION WITH DNA-ENCODING<br/>[FR] FUSION DE L'ACTIVATION DE C(SP3}-H AVEC CODAGE DE L'ADN
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2021108411A1

  公开（公告）日：2021-06-03

  Palladium-catalyzed C(sp3)-H arylation of aliphatic carboxylic acids, amides and ketones with BNA-encoded aryl iodides in water is disclosed, Furthermore, sequential C-H arylation chemistry enabled the on-DNA synthesis of structurally-diverse scaffolds containing enriched C(sp3) character, chiral centers, cyclopropane, cyclobutane, and heterocycles. That new chemistry permits preparation of a DNA- encoded library (BEL) technology that can dramatically expedite hit identification in drug discovery owing to its ability to perform protein affinity selection with millions or billions of molecules in a single experiment. The sequential functionalization of multiple C-H bonds provides an unique avenue for creating diversity and complexity from simple starting materials. The use of water as solvent, the presence of DMA, and the extremely low concentration of DMA-encoded coupling partners (0.001 M) have previously hampered the development DMA-encoded C(sp3)-H activation reactions, but many of those hurdles have now been overcome.