2-(1-氨基环丙基)乙酸甲酯 | 387845-51-4

• 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
• 中文名称: 2-(1-氨基环丙基)乙酸甲酯
• 中文别名: 环丙基乙酸,1-氨基,甲基酯；环丙基乙酸,1 -氨基,甲基酯
• 英文名称: methyl 2-(1-aminocyclopropyl)acetate
• CAS: 387845-51-4
• 化学式: C₆H₁₁NO₂
• mdl: MFCD19207932
• 分子量: 129.159
• InChiKey: ULMBPGYSCZOWNE-UHFFFAOYSA-N

物化性质

• 沸点：
  158.6±13.0 °C(Predicted)
• 密度：
  1.105±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  2-(1-氨基环丙基)乙酸甲酯 、 氯甲酰乙酸乙酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以34%的产率得到ethyl 3-(1-(2-methoxy-2-oxoethyl)cyclopropylamino)-3-oxopropanoate
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS
  [FR] COMPOSÉS HÉTÉROCYCLIQUES UTILES COMME INHIBITEURS DE MK2

  摘要：

  本发明描述了式（IA）或（IB）的四环化合物，其中符号R、X、A、Y、R2、R3和D如规范中所定义，它们在治疗某些疾病中的用途，例如取决于MK-2或TNF活性，并制造它们的方法。

  公开号：

  WO2009010488A1
• 作为产物：
  描述：

  [1-(二苄基氨基)环丙基]乙酸甲酯 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 2-(1-氨基环丙基)乙酸甲酯
  参考文献：
  名称：

  β-Amino acid substitutions and structure-based CoMFA modeling of hepatitis C virus NS3 protease inhibitors

  摘要：

  In an effort to develop a new type of HCV NS3 peptidomimetic inhibitor, a series of tripeptide inhibitors incorporating a mix of alpha- and beta-amino acids has been synthesized. To understand the structural implications of beta-amino acid substitution, the P-1, P-2, and P-3 positions of a potent tripeptide scaffold were scanned and combined with carboxylic acid and acyl sulfonamide C-terminal groups. Inhibition was evaluated and revealed that the structural changes resulted in a loss in potency compared with the a- peptide analogues. However, several compounds exhibited mu M potency. Inhibition data were compared with modeled ligand-protein binding poses to understand how changes in ligand structure affected inhibition potency. The P-3 position seemed to be the least sensitive position for beta-amino acid substitution. Moreover, the importance of a proper oxyanion hole interaction for good potency was suggested by both inhibition data and molecular modeling. To gain further insight into the structural requirements for potent inhibitors, a three-dimensional quantitative structure-activity relationship (3D- QSAR) model has been constructed using comparative molecular field analysis (CoMFA). The most predictive CoMFA model has q(2) = 0.48 and r(pred)(2) = 0.68. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.04.005

文献信息

• [EN] MK2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS MK2 ET UTILISATIONS ASSOCIÉES
  申请人：CELGENE AVILOMICS RES INC

  公开号：WO2014149164A1

  公开（公告）日：2014-09-25

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。
• Furo-3-carboxamide derivatives and methods of use
  申请人：AbbVie Inc.

  公开号：US09777020B2

  公开（公告）日：2017-10-03

  Compounds of formula (I) and pharmaceutically acceptable salts, esters, amides, or radiolabelled forms thereof, wherein R1, Z1, Z2, and n are as defined in the specification, are useful in treating conditions or disorders prevented by or ameliorated by Tropomysin receptor kinases (Trk). Methods for making the compounds are disclosed. Also disclosed are pharmaceutical compositions of compounds of formula (I), and methods for using such compounds and compositions.

  式(I)的化合物及其药学上可接受的盐、酯、酰胺或放射标记形式，在该式中R1、Z1、Z2和n如规范中所定义，可用于治疗由Tropomysin受体激酶(Trk)预防或改善的症状或疾病。公开了制备这些化合物的方法。还公开了式(I)化合物的药物组合物，以及使用这些化合物和组合物的方法。
• FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE
  申请人：AbbVie Inc.

  公开号：US20150210720A1

  公开（公告）日：2015-07-30

  Compounds of formula (I) and pharmaceutically acceptable salts, esters, amides, or radiolabelled forms thereof, wherein R 1 , Z 1 , Z 2 , and n are as defined in the specification, are useful in treating conditions or disorders prevented by or ameliorated by Tropomysin receptor kinases (Trk). Methods for making the compounds are disclosed. Also disclosed are pharmaceutical compositions of compounds of formula (I), and methods for using such compounds and compositions.

  式(I)化合物的药物可接受的盐、酯、酰胺或放射性标记形式，其中R1、Z1、Z2和n如说明书中所定义，可用于治疗通过或通过原肌球蛋白受体激酶(Trk)预防或缓解的病症或障碍。制备这些化合物的方法已被公开。还公开了式(I)化合物的药物组合物，以及使用这些化合物和组合物的方法。
• Tetracyclic Lactame Derivatives
  申请人：Schlapbach Achim

  公开号：US20090098218A1

  公开（公告）日：2009-04-16

  The present invention describes tetracyclic compounds of formula (IA) or (IB), wherein the symbols R, X, A, Y, R2, R3 and D are as defined in the specification, their use in the treatment of certain diseases, e.g. depending on MK-2 or TNF activity, and ways of manufacturing them.

  本发明描述了式（IA）或（IB）的四环化合物，其中符号R，X，A，Y，R2，R3和D如规范所定义，在治疗某些疾病（例如，取决于MK-2或TNF活性）中使用它们，并制造它们的方法。
• Tetracyclic lactame derivatives
  申请人：Novartis AG

  公开号：US07838674B2

  公开（公告）日：2010-11-23

  The present invention describes tetracyclic compounds of formula (IA) or (IB), wherein the symbols R, X, A, Y, R2, R3 and D are as defined in the specification, their use in the treatment of certain diseases, e.g. depending on MK-2 or TNF activity, and ways of manufacturing them.

  本发明描述了公式（IA）或（IB）的四环化合物，其中符号R、X、A、Y、R2、R3和D如规范中所定义，在治疗某些疾病方面的应用，例如取决于MK-2或TNF活性，并且制造它们的方法。