1-tert-butyl 3-ethyl (trans)-4-aminopyrrolidine-1,3-dicarboxylate hydrochloride | 1262849-90-0

• 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-tert-butyl 3-ethyl (trans)-4-aminopyrrolidine-1,3-dicarboxylate hydrochloride
• 英文别名: (3R,4S)-1-tert-Butyl 3-ethyl 4-aminopyrrolidine-1,3-dicarboxylate hydrochloride；1-O-tert-butyl 3-O-ethyl (3R,4S)-4-aminopyrrolidine-1,3-dicarboxylate;hydrochloride
• CAS: 1262849-90-0
• 化学式: C₁₂H₂₂N₂O₄*ClH
• 分子量: 294.779
• InChiKey: HBFTTYWPCPPDIT-VTLYIQCISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.17
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  81.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-tert-butyl 3-ethyl (trans)-4-aminopyrrolidine-1,3-dicarboxylate hydrochloride 在 N,N-二异丙基乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 (3R,4S)-4-Benzyloxycarbonylamino-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester
  参考文献：
  名称：

  [EN] CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES
  [FR] CARBOXAMIDES AZAHÉTÉROCYCLIQUES D'AMINES CYCLIQUES

  摘要：

  这项发明提供了根据式(I)、式(II)和式(III)制备的新型环胺氮杂杂环羧酰胺，以及它们用于治疗高增殖性疾病，如癌症的用途。

  公开号：

  WO2012016001A1

文献信息

• Cyclic Amine Azaheterocyclic Carboxamides
  申请人：Huck Bayard R.

  公开号：US20130217709A1

  公开（公告）日：2013-08-22

  The invention provides novel cyclic amine azaheterocyclic carboxamide according to Formula (I), Formula (II) and Formula (III) their manufacture and use for the treatment of hyperproliferative diseases, such as cancer.

  该发明提供了新型的环状胺氮杂杂环羧酰胺，其化学式为(I)、(II)和(III)，以及它们的制造和用于治疗高增殖性疾病，如癌症的用途。
• Structure-Based Design of Potent and Selective 2-(Quinazolin-2-yl)phenol Inhibitors of Checkpoint Kinase 2
  作者：John J. Caldwell、Emma J. Welsh、Cornelis Matijssen、Victoria E. Anderson、Laurent Antoni、Kathy Boxall、Frederique Urban、Angela Hayes、Florence I. Raynaud、Laurent J. M. Rigoreau、Tony Raynham、G. Wynne Aherne、Laurence H. Pearl、Antony W. Oliver、Michelle D. Garrett、Ian Collins

  DOI：10.1021/jm101150b

  日期：2011.1.27

  Structure-based design was applied to the optimization of a series of 2-(quinazolin-2-yl)phenols to generate potent and selective ATP-competitive inhibitors of the DNA damage response signaling enzyme checkpoint kinase 2 (CHK2). Structure-activity relationships for multiple substituent positions were optimized separately and in combination leading to the 2-(quinazolin-2-yl)phenol 46 (IC(50) 3 nM) with good selectivity for CHK2 against CHK1 and a wider panel of kinases and with promising in vitro ADMET properties. Off-target activity at hERG ion channels shown by the core scaffold was successfully reduced by the addition of peripheral polar substitution. In addition to showing mechanistic inhibition of CHK2 in HT29 human colon cancer cells, a concentration dependent radioprotective effect in mouse thymocytes was demonstrated for the potent inhibitor 46 (CCT241533).
• [EN] CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES<br/>[FR] CARBOXAMIDES AZAHÉTÉROCYCLIQUES D'AMINES CYCLIQUES
  申请人：MERCK PATENT GMBH

  公开号：WO2012016001A1

  公开（公告）日：2012-02-02

  The invention provides novel cyclic amine azaheterocyclic carboxamide according to Formula (I), Formula (II) and Formula (III) their manufacture and use for the treatment of hyperproliferative diseases, such as cancer.

  这项发明提供了根据式(I)、式(II)和式(III)制备的新型环胺氮杂杂环羧酰胺，以及它们用于治疗高增殖性疾病，如癌症的用途。