(2-Ethylamino-5-fluoro-phenyl)-carbamic acid tert-butyl ester | 862815-01-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2-Ethylamino-5-fluoro-phenyl)-carbamic acid tert-butyl ester
• 英文别名: (2-Ethylamino-5-fluorophenyl)-carbamic Acid Tert-Butyl Ester；tert-butyl N-[2-(ethylamino)-5-fluorophenyl]carbamate
• CAS: 862815-01-8
• 化学式: C₁₃H₁₉FN₂O₂
• 分子量: 254.304
• InChiKey: UKNRTJAPYLRBNH-UHFFFAOYSA-N

物化性质

• 沸点：
  303.1±37.0 °C(Predicted)
• 密度：
  1.163±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-Methyl-[1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ol 、 (2-Ethylamino-5-fluoro-phenyl)-carbamic acid tert-butyl ester 在 溶剂黄146 、 二氯甲烷 作用下， 以 溶剂黄146 为溶剂， 反应 3.0h， 以to afford the title compound (0.919, 43%)的产率得到4-(1-Ethyl-5-fluoro-1H-benzoimidazol-2-yl)-furazan-3-ylamine
  参考文献：
  名称：

  Medicaments

  摘要：

  一种治疗哺乳动物中MSK-1和/或ROCK（1和2）介导的疾病或病况的方法，包括给予化合物(I)及其生理上可接受的盐的有效量，其中，R1是从a、b、c或d组中选择的5个或6个成员的杂环基团，其中X1是选择自N或CR7的基团，X2是选择自O、S或NR8的基团；X3和X4可以相同或不同，是选择自N或CR7的基团；X5是选择自O、S或NR8的基团，X6是N或CR7；X7、X8和X9可以相同或不同，选择自N或CR7的基团；制备这些新化合物的药物组合物和方法。

  公开号：

  US20050153978A1
• 作为产物：
  描述：

  4-氟-1,2-苯二胺 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 (2-Ethylamino-5-fluoro-phenyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  (1H-Imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-ylamine derivatives: A novel class of potent MSK-1-inhibitors

  摘要：

  A novel series of imidazo[4,5-c]pyridines bearing a 1,2,5-oxadiazol-3-ylamine functionality has been developed. These are potent inhibitors of mitogen and stress-activated protein kinase-1. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.021

文献信息

• Medicaments
  申请人：Alberti John Michael

  公开号：US20050153978A1

  公开（公告）日：2005-07-14

  A method of treating an Msk-1 and/or ROCK(1 and 2) mediated disease or condition in a mammal comprising administration of an effective amount of a compounds of the formula (I) and physiologically acceptable salts thereof wherein, R 1 is a 5, or 6 membered heterocyclic group selected from group a, b, c or d wherein X 1 is a group selected from N or CR 7 and X 2 is a group selected from O, S or NR 8 ; X 3 and X 4 which may be the same or different is a group selected from N or CR 7 ; X 5 is a group selected from O, S or NR 8 and X 6 is N or CR 7 ; X 7 , X 8 and X 9 may be the same or different and selected from a group N or CR 7 , pharmaceutical compositions, novel compounds and processes for their preparation.

  一种治疗哺乳动物中MSK-1和/或ROCK（1和2）介导的疾病或病况的方法，包括给予化合物(I)及其生理上可接受的盐的有效量，其中，R1是从a、b、c或d组中选择的5个或6个成员的杂环基团，其中X1是选择自N或CR7的基团，X2是选择自O、S或NR8的基团；X3和X4可以相同或不同，是选择自N或CR7的基团；X5是选择自O、S或NR8的基团，X6是N或CR7；X7、X8和X9可以相同或不同，选择自N或CR7的基团；制备这些新化合物的药物组合物和方法。
• BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1487441A2

  公开（公告）日：2004-12-22
• US6924284B2
  申请人：——

  公开号：US6924284B2

  公开（公告）日：2005-08-02
• [EN] BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS<br/>[FR] MEDICAMENTS
  申请人：GLAXO GROUP LTD

  公开号：WO2003080125A2

  公开（公告）日：2003-10-02

  A method of treating an Msk-1 and/or ROCK(1 and 2) mediated disease or condition in a mammal comprising administration of an effective amount of a compounds of the formula (I) and physiologically acceptable salts thereof wherein, R1 is a 5, or 6 membered heterocyclic group selected from group a, b, c or d wherein X1 is a group selected from N or CR7 and X2 is a group selected from O, S or NR8; X3 and X4 which may be the same or different is a group selected from N or CR7; X5 is a group selected from O, S or NR8 and X6 is N or CR7; X7, X8 and X9 may be the same or different and selected from a group N or CR7, pharmaceutical compositions, novel compounds and processes for their preparation.
• (1H-Imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-ylamine derivatives: A novel class of potent MSK-1-inhibitors
  作者：Mark J. Bamford、Michael J. Alberti、Nicholas Bailey、Susannah Davies、David K. Dean、Alessandra Gaiba、Stephen Garland、John D. Harling、David K. Jung、Terence A. Panchal、Christopher A. Parr、Jon G. Steadman、Andrew K. Takle、James T. Townsend、David M. Wilson、Jason Witherington

  DOI：10.1016/j.bmcl.2005.05.021

  日期：2005.7

  A novel series of imidazo[4,5-c]pyridines bearing a 1,2,5-oxadiazol-3-ylamine functionality has been developed. These are potent inhibitors of mitogen and stress-activated protein kinase-1. (c) 2005 Elsevier Ltd. All rights reserved.