tert-butyl 4-(2-chloro-2-oxoethyl)phenylcarbamate | 492446-12-5

• 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: tert-butyl 4-(2-chloro-2-oxoethyl)phenylcarbamate
• 英文别名: tert-butyl N-[4-(2-chloro-2-oxoethyl)phenyl]carbamate
• CAS: 492446-12-5
• 化学式: C₁₃H₁₆ClNO₃
• 分子量: 269.728
• InChiKey: XJAHTPIAXFPNRX-UHFFFAOYSA-N

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：
  0.38
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(2-chloro-2-oxoethyl)phenylcarbamate 、 3-(氨基甲基)-5-氯吡嗪-2-胺 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 tert-butyl N-[4-[2-[(3-amino-6-chloropyrazin-2-yl)methylamino]-2-oxoethyl]phenyl]carbamate
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of aminopyrazine derivatives as inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2)

  摘要：

  Several series of novel non-thiourea-containing aminopyrazine derivatives were designed based on the MK-2 inhibitors 1-(2-aminopyrazin-3-yl)methyl-2-thioureas. These compounds were synthesized and evaluated for their inhibitory activity against MK-2 enzyme in vitro. Compounds with low micromolar to sub-micromolar IC50 values were identified, and several compounds were also found to be active in suppressing the lipopolysaccharide (LPS)-stimulated TNF alpha production in THP-1 cells with minimum shift compared to their enzyme activity. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.09.016

文献信息

• Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents
  申请人：——

  公开号：US20040235919A1

  公开（公告）日：2004-11-25

  Compounds represented by formula (I), as defined in the description, wherein R is a hydrogen atom or a methyl group and R1 is a group as defined in the specification, or a pharmaceutically acceptable salt thereof, are disclosed; the said compounds are useful in the treatment of cell proliferative disorders, e.g. cancer, associated with an altered cell cycle dependent kinase activity.

  公式(I)所代表的化合物，如描述中所定义，其中R是氢原子或甲基基团，R1是规范中定义的基团，或其药用盐，均已披露；所述化合物在治疗细胞增殖紊乱疾病（如癌症）方面具有用途，与细胞周期依赖性激酶活性异常有关。
• Phenylacetamido-thiazole derivatives, process for their preparation and their use as antitumor agents
  申请人：Pfizer Italia S.r.l.

  公开号：EP1724270A2

  公开（公告）日：2006-11-22

  Compounds represented by formula (I), as defined in the description, wherein R is a hydrogen atom or a methyl group and R1 is a group as defined in the specification, or a pharmaceutically acceptable salt thereof, are disclosed; the said compounds are useful in the treatment of cell proliferative disorders, e.g. cancer, associated with an altered cell cycle dependent kinase activity.

  本发明公开了式(I)所代表的化合物，如说明书中所定义，其中R是氢原子或甲基，R1是如说明书中所定义的基团，或其药学上可接受的盐；所述化合物可用于治疗与细胞周期依赖性激酶活性改变有关的细胞增殖性疾病，如癌症。
• PHENYLACETAMIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS
  申请人：Pfizer Italia S.r.l.

  公开号：EP1406899B1

  公开（公告）日：2006-11-15
• [EN] PHENYLACETAMIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS<br/>[FR] DERIVES DE PHENYLACETAMIDO-THIAZOLE, LEUR PROCEDE DE PREPARATION ET LEUR UTILISATION EN TANT QU'AGENTS ANTITUMORAUX
  申请人：PHARMACIA ITALIA SPA

  公开号：WO2003008365A2

  公开（公告）日：2003-01-30

  Compounds represented by formula (I), as defined in the description, wherein R is a hydrogen atom or a methyl group and R1 is a group as defined in the specification, or a pharmaceutically acceptable salt thereof, are disclosed; the said compounds are useful in the treatment of cell proliferative disorders, e.g. cancer, associated with an altered cell cycle dependent kinase activity.
• Design, synthesis, and biological evaluation of aminopyrazine derivatives as inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2)
  作者：Songnian Lin、Sunita Malkani、Matthew Lombardo、Lihu Yang、Sander G. Mills、Kevin Chapman、James E. Thompson、Wen Xiao Zhang、Ruixiu Wang、Rose M. Cubbon、Edward A. O’Neill、Jeffrey J. Hale

  DOI：10.1016/j.bmcl.2015.09.016

  日期：2015.11

  Several series of novel non-thiourea-containing aminopyrazine derivatives were designed based on the MK-2 inhibitors 1-(2-aminopyrazin-3-yl)methyl-2-thioureas. These compounds were synthesized and evaluated for their inhibitory activity against MK-2 enzyme in vitro. Compounds with low micromolar to sub-micromolar IC50 values were identified, and several compounds were also found to be active in suppressing the lipopolysaccharide (LPS)-stimulated TNF alpha production in THP-1 cells with minimum shift compared to their enzyme activity. (C) 2015 Elsevier Ltd. All rights reserved.