t-butyl {(1S)-1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethyl}carbamate | 878805-48-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: t-butyl {(1S)-1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethyl}carbamate
• 英文别名: t-butyl{(1S)-1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethyl}carbamate；tert-butyl N-[(1S)-1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]carbamate
• CAS: 878805-48-2
• 化学式: C₁₈H₂₈ClN₃O₂
• 分子量: 353.892
• InChiKey: NEVMSVXFJZONKF-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  tert-butyl (S)-(1-(4-(4-methylpiperazin-1-yl)phenyl)ethyl)carbamate 在 N-氯代丁二酰亚胺 、 碳酸氢钠 作用下， 以 氯仿 、 水 为溶剂， 反应 2.0h， 生成 t-butyl {(1S)-1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethyl}carbamate
  参考文献：
  名称：

  EP1790650

  摘要：

  公开号：

文献信息

• Novel Substituted Imidazole Derivative
  申请人：Kawamura Mikako

  公开号：US20080070894A1

  公开（公告）日：2008-03-20

  The present invention relates to a compound represented by Formula [I] or a pharmaceutically acceptable salt or ester thereof: wherein: X 1 , X 2 , X 3 , and X 4 , which may be identical or different, are each C or N, provided that none to two of X 1 , X 2 , X 3 , and X 4 is/are N; Y is CH or N; R 1 , R 1 ′, R 2 , R 2 ′, R 3 , R 3 ′, R 4 , and R 4 ′, which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R 5 is a hydrogen atom or a methyl group; R 6 and R 7 , which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R 8 and R 8 ′, which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R 9 is an aryl group or a heteroaryl group which may be substituted; and n is an integer from 1 to 3, and a PLK1 inhibitor or an anticancer agent containing the same.

  本发明涉及一种由式[I]表示的化合物或其药学上可接受的盐或酯：其中，X1、X2、X3和X4可以相同也可以不同，分别为C或N，但是X1、X2、X3和X4中至少有一个或最多两个是N；Y为CH或N；R1、R1'、R2、R2'、R3、R3'、R4和R4'可以相同也可以不同，分别为氢原子、低碳基或类似物；R5为氢原子或甲基基团；R6和R7可以相同也可以不同，分别为氢原子、低碳基或类似物；R8和R8'可以相同也可以不同，分别为氢原子、低碳基或类似物；R9为取代的芳基或杂环基；n为1到3的整数。本发明还涉及一种PLK1抑制剂或含有该化合物的抗癌剂。
• Substituted imidazole derivative
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US07718801B2

  公开（公告）日：2010-05-18

  The present invention relates to a compound represented by Formula [I] or a pharmaceutically acceptable salt or ester thereof: wherein: X1, X2, X3, and X4, which may be identical or different, are each C or N, provided that none to two of X1, X2, X3, and X4 is/are N; Y is CH or N; R1, R1′, R2, R2′, R3, R3′, R4, and R4′, which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R5 is a hydrogen atom or a methyl group; R6 and R7, which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R8 and R8′, which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R9 is an aryl group or a heteroaryl group which may be substituted; and n is an integer from 1 to 3, and a PLK1 inhibitor or an anticancer agent containing the same.

  本发明涉及一种由式[I]表示的化合物或其药学上可接受的盐或酯：其中，X1、X2、X3和X4可以相同或不同，每个为C或N，但X1、X2、X3和X4中的任意一个到两个不能是N；Y为CH或N；R1、R1'、R2、R2'、R3、R3'、R4和R4'可以相同或不同，每个为氢原子、低碳基或类似物；R5为氢原子或甲基基团；R6和R7可以相同或不同，每个为氢原子、低碳基或类似物；R8和R8'可以相同或不同，每个为氢原子、低碳基或类似物；R9为取代的芳基或杂芳基；n为1到3的整数；以及包含该化合物的PLK1抑制剂或抗癌药物。