ethyl 1-benzyl-3-cyanopyrrolidine-3-carboxylate | 1312815-01-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: ethyl 1-benzyl-3-cyanopyrrolidine-3-carboxylate
• CAS: 1312815-01-2
• 化学式: C₁₅H₁₈N₂O₂
• 分子量: 258.32
• InChiKey: BDIBKSVAAYKVKG-UHFFFAOYSA-N

物化性质

• 沸点：
  379.5±42.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  53.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 1-benzyl-3-cyanopyrrolidine-3-carboxylate 在 氢气 作用下， 反应 2.0h， 生成 methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
  参考文献：
  名称：

  Novel ATP competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series

  摘要：

  Optimization of our previously described pyrrolopiperidone series led to the identification of a new benzamide sub-series, which exhibits consistently high potency in biochemical and cell-based assays throughout the series. Strong inhibition of LPS-induced production of the cytokine TNF alpha is coupled to the regulation of HSP27 phosphorylation, indicating that the observed cellular effects result from the inhibition of MK2. X-ray crystallographic and computational analyses provide a rationale for the high potency of the series. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.071
• 作为产物：
  描述：

  氰基丙烯酸乙酯 、 N-(甲氧甲基)-N-(三甲基硅甲基)苄胺 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以94%的产率得到ethyl 1-benzyl-3-cyanopyrrolidine-3-carboxylate
  参考文献：
  名称：

  [EN] MK2 INHIBITORS
  [FR] INHIBITEURS DE MK2

  摘要：

  本发明涉及一般式（I）的化合物或其药用盐。这些化合物可用于治疗免疫、自身免疫、炎症性疾病、心血管疾病、传染病、骨吸收障碍、神经退行性疾病或增殖性疾病。

  公开号：

  WO2011073119A1

文献信息

• PYRIDAZINE COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP3118200A1

  公开（公告）日：2017-01-18

  The present provides a pyridazine compound having an inhibiting effect on Stearoyl-CoA desaturase (SCD) (in particular, SCD1). The present provides a compound represented by formula (where each symbol is as defined as in the Specification) or a salt thereof

  本发明提供了一种对硬脂酰辅酶A去饱和酶（SCD）（特别是SCD1）具有抑制作用的吡啶啉化合物。本发明提供了一种由以下公式表示的化合物（其中每个符号如规范中定义）或其盐。
• [EN] SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS<br/>[FR] DÉRIVÉS DE PYRROLIDINE SPIRO-FUSIONNÉS EN TANT QU'INHIBITEURS DES ENZYMES DE DÉSUBIQUITINATION (DUB)
  申请人：MISSION THERAPEUTICS LTD

  公开号：WO2017149313A1

  公开（公告）日：2017-09-08

  The present invention relates to novel compounds and methods for the manufacture of inhibitors of deubiquitylating enzymes (DUBs). In particular, the invention relates to the inhibition of Cezanne 1. The invention further relates to the use of DUB inhibitors in the treatment of cancer. (Figure (I))

  本发明涉及新型化合物和制备去泛素酶（DUBs）抑制剂的方法。具体而言，本发明涉及对Cezanne 1的抑制。本发明还涉及将DUB抑制剂用于癌症治疗。
• MK2 INHIBITORS
  申请人：Barf Tjeerd Andries

  公开号：US20120245175A1

  公开（公告）日：2012-09-27

  The present invention relates to compounds of general Formula (I) or a pharmaceutically acceptable salt thereof. The compounds can be used in the treatment of immune, autoimmune, inflammatory diseases, cardiovascular diseases, infectious diseases, bone resorption disorders, neurodegenerative diseases or proliferative diseases.

  本发明涉及一般式（I）的化合物或其药学上可接受的盐。这些化合物可用于治疗免疫、自身免疫、炎症性疾病、心血管疾病、传染病、骨吸收紊乱、神经退行性疾病或增殖性疾病。
• MK2 inhibitors
  申请人：Barf Tjeerd Andries

  公开号：US08772286B2

  公开（公告）日：2014-07-08

  The present invention relates to compounds of general Formula (I) or a pharmaceutically acceptable salt thereof. The compounds can be used in the treatment of immune, autoimmune, inflammatory diseases, cardiovascular diseases, infectious diseases, bone resorption disorders, neurodegenerative diseases or proliferative diseases.

  本发明涉及一般式（I）的化合物或其药学上可接受的盐。这些化合物可用于治疗免疫、自身免疫、炎症性疾病、心血管疾病、传染性疾病、骨吸收紊乱、神经退行性疾病或增生性疾病。
• SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYME (DUB) INHIBITORS
  申请人：Mission Therapeutics Limited

  公开号：EP4067355A1

  公开（公告）日：2022-10-05

  The present invention relates to novel compounds and methods for the manufacture of inhibitors of deubiquitylating enzymes (DUBs). In particular, the invention relates to the inhibition of Cezanne 1. The invention further relates to the use of DUB inhibitors in the treatment of cancer. Figure (I):

  本发明涉及新型化合物和制造去泛素化酶（DUB）抑制剂的方法。特别是，本发明涉及对塞尚 1 的抑制。本发明还涉及 DUB 抑制剂在治疗癌症中的应用。图（I）：