4-[(4-氯苯基)磺酰基]-1-哌啶甲酸叔丁酯 | 333954-88-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-[(4-氯苯基)磺酰基]-1-哌啶甲酸叔丁酯
• 中文别名: 4-[（4-氯苯基）磺酰基]-1-哌啶甲酸叔丁酯
• 英文名称: 4-(4-Chloro-benzenesulfonyl)-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: 4-(4-Chlorobenzenesulfonyl)piperidine-1-carboxylic Acid tert-Butyl Ester；tert-Butyl 4-((4-chlorophenyl)sulfonyl)piperidine-1-carboxylate；tert-butyl 4-(4-chlorophenyl)sulfonylpiperidine-1-carboxylate
• CAS: 333954-88-4
• 化学式: C₁₆H₂₂ClNO₄S
• 分子量: 359.874
• InChiKey: QIOIWMKXKAAXTR-UHFFFAOYSA-N

物化性质

• 沸点：
  497.6±45.0 °C(Predicted)
• 密度：
  1.267

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  4-[(4-氯苯基)磺酰基]-1-哌啶甲酸叔丁酯 在 三氟乙酸 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 以62%的产率得到4-[(4-氯苯基)磺酰基]哌啶
  参考文献：
  名称：

  NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS

  摘要：

  本发明涉及作为CC趋化因子受体，如CCR1的配体的新型吗啉、恶唑烷和哌啶衍生物。该发明还涉及制备这些化合物的方法、包含这些化合物的组合物以及使用这些化合物的治疗方法。

  公开号：

  US20100168080A1
• 作为产物：
  描述：

  4,4'-二氯二苯二硫醚 在 aluminum oxide 、 Oxone 、 三丁基膦 作用下， 以 四氢呋喃 、 氯仿 、 水 为溶剂， 反应 66.0h， 生成 4-[(4-氯苯基)磺酰基]-1-哌啶甲酸叔丁酯
  参考文献：
  名称：

  4-(Phenylsulfonyl)piperidines:  Novel, Selective, and Bioavailable 5-HT_2A Receptor Antagonists

  摘要：

  On the basis of a spirocyclic ether screening lead, a series of acyclic sulfones have been identifed as high-affinity, selective 5-HT2A receptor antagonists. Bioavailability lacking in the parent, 1-(2-(2,4-difluorophenyl)ethyl)-4-(phenylsulfonyl)piperidine (12), was introduced by using stability toward rat liver microsomes as a predictor of bioavailability. By this means, the 4-cyano- and 4-carboxamidophenylsulfonyl derivatives 26 and 31 were identified as orally bioavailable, brain-penetrant analogues suitable for evaluation in animal models. Bioavailability was also attainable by N substitution leading to the N-phenacyl derivative 35. IKr activity detected through counterscreening was reduced to insignificant levels in vivo with the latter compound.

  DOI：

  10.1021/jm011030v

文献信息

• NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS
  申请人：KHAMRAI Uttam

  公开号：US20100168080A1

  公开（公告）日：2010-07-01

  The present invention relates to novel morpholine, oxazapane and piperidine derivatives that act as ligands for CC chemokine receptors, such as CCR1. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

  本发明涉及作为CC趋化因子受体，如CCR1的配体的新型吗啉、恶唑烷和哌啶衍生物。该发明还涉及制备这些化合物的方法、包含这些化合物的组合物以及使用这些化合物的治疗方法。
• HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS
  申请人：Darwin Discovery Limited

  公开号：EP1237868A1

  公开（公告）日：2002-09-11
• US6455531B1
  申请人：——

  公开号：US6455531B1

  公开（公告）日：2002-09-24
• [EN] HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS<br/>[FR] DERIVES D'ACIDE HYDROXAMIQUE UTILISES COMME INHIBITEURS DES METALLOPROTEASES MATRICIELLES (MPM)
  申请人：DARWIN DISCOVERY LTD

  公开号：WO2001044189A1

  公开（公告）日：2001-06-21

  Compounds having therapeutic utility are of formula (I), wherein NB2 is heterocycloalkyl and R?1 and R2¿ are each various substituents or a cyclic group.
• [EN] NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS<br/>[FR] NOUVEAUX COMPOSÉS UTILES COMME LIGANDS DE RÉCEPTEUR DE CHÉMOKINE CC
  申请人：FOREST LAB HOLDINGS LTD

  公开号：WO2010077915A1

  公开（公告）日：2010-07-08

  The present invention relates to novel morpholine, oxazapane and piperidine derivatives that act as ligands for CC chemokine receptors, such as CCRl. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.