4-[5-(2-Cyclohexylamino-pyridin-4-yl)-4-(4-fluoro-phenyl)-oxazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester | 302839-17-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[5-(2-Cyclohexylamino-pyridin-4-yl)-4-(4-fluoro-phenyl)-oxazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 4-[5-[2-(cyclohexylamino)pyridin-4-yl]-4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
• CAS: 302839-17-4
• 化学式: C₃₀H₃₇FN₄O₃
• 分子量: 520.647
• InChiKey: OZVCDLUKYKJWOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  80.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-[5-(2-Cyclohexylamino-pyridin-4-yl)-4-(4-fluoro-phenyl)-oxazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 0.17h， 生成 Cyclohexyl-{4-[4-(4-fluoro-phenyl)-2-piperidin-4-yl-oxazol-5-yl]-pyridin-2-yl}-amine
  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：

  1-叔丁氧羰基-4-哌啶甲酰胺 以 四氢呋喃 为溶剂， 反应 3.67h， 生成 4-[5-(2-Cyclohexylamino-pyridin-4-yl)-4-(4-fluoro-phenyl)-oxazol-2-yl]-piperidine-1-carboxylic acid tert-butyl 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

文献信息

• Novel p38 inhibitors with potent oral efficacy in several models of rheumatoid arthritis
  作者：Laszlo Revesz、Ernst Blum、Franco E. Di Padova、Thomas Buhl、Roland Feifel、Hermann Gram、Peter Hiestand、Ute Manning、Gerard Rucklin

  DOI：10.1016/j.bmcl.2004.03.106

  日期：2004.7

  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.