methyl 1-(methylsulfonyl)piperidine-4-carboxylate | 320424-42-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: methyl 1-(methylsulfonyl)piperidine-4-carboxylate
• 英文别名: methyl N-methanesulfonylisonipecotate；Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate；methyl 1-methylsulfonylpiperidine-4-carboxylate
• CAS: 320424-42-8
• 化学式: C₈H₁₅NO₄S
• mdl: MFCD01568780
• 分子量: 221.277
• InChiKey: BEZZIYNUEDUKHC-UHFFFAOYSA-N

物化性质

• 熔点：
  108～110℃
• 沸点：
  320.3±52.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2935009090
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  methyl 1-(methylsulfonyl)piperidine-4-carboxylate 在 甲醇 、 sodium hydroxide 作用下， 以66%的产率得到1-(甲基磺酰基)哌啶-4-羧酸
  参考文献：
  名称：

  WO2018211275A5

  摘要：

  公开号：

  WO2018211275A5
• 作为产物：
  描述：

  4-哌啶甲酸甲酯 、 甲基磺酰氯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以22%的产率得到methyl 1-(methylsulfonyl)piperidine-4-carboxylate
  参考文献：
  名称：

  WO2018211275A5

  摘要：

  公开号：

  WO2018211275A5

文献信息

• Design of fluorinated 5-HT4R antagonists: Influence of the basicity and lipophilicity toward the 5-HT4R binding affinities
  作者：Clement Q. Fontenelle、Zhong Wang、Christine Fossey、Thomas Cailly、Bruno Linclau、Frederic Fabis

  DOI：10.1016/j.bmc.2013.08.061

  日期：2013.12

  Analogues of potent 5-HT4R antagonists possessing a fluorinated N-alkyl chain have been synthesized in order to investigate the effect of the resulting change in basicity and lipophilicity on the affinity and selectivity profile. We demonstrate that for this series, the affinity is decreased with decreased basicity of the piperidine's nitrogen atom. In contrast, the resulting increase in lipophilicity has minimal impact on binding affinity and selectivity. 3,3,3-Trifluoropropyl and 4,4,4-trifluorobutyl derivatives 6d and 6e have shown to bind to the 5-HT4R while maintaining their pharmacological profile and selectivity toward other 5-HT receptors. (C) 2013 Elsevier Ltd. All rights reserved.
• COMPOUNDS
  申请人：The University Of Sheffield

  公开号：EP3628045A1

  公开（公告）日：2020-04-01
• US6294573B1
  申请人：——

  公开号：US6294573B1

  公开（公告）日：2001-09-25
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：UNIV SHEFFIELD

  公开号：WO2018211275A1

  公开（公告）日：2018-11-22

  Disclosed are compounds of the formula (I) and pharmaceutically acceptable salts thereof: (I) wherein R1, R2, R3, R4, R5, R6, R8, R9, X, X1, X2, X3, L1 and n are as defined herein. The compounds are inhibitors of adrenomedullin receptor subtype 2 (AM2). Also disclosed are the compounds for use in the treatment of diseases modulated AM2, including proliferative diseases such as cancer; pharmaceutical compositions comprising the compounds; methods for preparing the compounds;and intermediates useful in the preparation of the compounds.
• WO2018211275A5
  申请人：——

  公开号：WO2018211275A5

  公开（公告）日：2022-11-22