4-thiocarbamoylpiperidine-1-carboxylic acid ethyl ester | 337902-71-3

• 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: 4-thiocarbamoylpiperidine-1-carboxylic acid ethyl ester
• 英文别名: N-ethoxycarbonylpiperidine-4-thioamide；Ethyl 4-carbamothioylpiperidine-1-carboxylate
• CAS: 337902-71-3
• 化学式: C₉H₁₆N₂O₂S
• 分子量: 216.304
• InChiKey: PCRHUQSLHUYWKI-UHFFFAOYSA-N

物化性质

• 沸点：
  342.4±52.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  87.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  4-thiocarbamoylpiperidine-1-carboxylic acid ethyl ester 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.5h， 生成 4-{4-(4-Fluoro-phenyl)-5-[2-((S)-1-phenyl-ethylamino)-pyridin-4-yl]-thiazol-2-yl}-piperidine-1-carboxylic acid ethyl ester
  参考文献：
  名称：

  Novel p38 inhibitors with potent oral efficacy in several models of rheumatoid arthritis

  摘要：

  A library of trisubstituted oxazoles, thiazoles, imidazoles (1,2,4- and 2,4,5-substituted) and imidazo[1,2-b]pyridines was prepared and evaluated in vitro as p38alpha inhibitors and in vivo in several models of rheumatoid arthritis. Four structures 32, 37, 45 and 59-were identified as potent inhibitors of p38alpha with high efficacy in the LPS induced TNFalpha release model in the mouse, the adjuvant induced arthritis and the collagen induced arthritis in the rat with ED(50)s between 1.0 and 9.5 mg/kg p.o. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.106
• 作为产物：
  描述：

  N-ethoxycarbonylpiperidine-4-carboxyamide 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以89%的产率得到4-thiocarbamoylpiperidine-1-carboxylic acid ethyl ester
  参考文献：
  名称：

  WO2006/137658

  摘要：

  公开号：

文献信息

• THIAZOLE AND IMIDAZO[4,5-B]PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE
  申请人：Novartis AG

  公开号：EP1224185A1

  公开（公告）日：2002-07-24
• [EN] THIAZOLE AND IMIDAZO [4,5-B] PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE<br/>[FR] COMPOSES THIAZOLE ET IMIDAZO [4,5-B] PYRIDINE ET LEUR UTILISATION PHARMACEUTIQUE
  申请人：NOVARTIS AG

  公开号：WO2001030778A1

  公开（公告）日：2001-05-03

  Compounds of formula (I) and pharmaceutically-acceptable and -cleavable esters thereof and acid addition salts thereof, wherein the symbols are as defined are MAP kinase inhibitors, useful pharmaceutically for treating TNFα and IL-1 mediated diseases such as rheumatoid arthritis and diseases of bone metabolism, e.g. osteoporosis.