2-[(S)-1-Phenylethylamino]-4-[5-N-(cyclohexanoyl)aminobenzimidazol-1-yl]-pyrimidine | 317825-21-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-[(S)-1-Phenylethylamino]-4-[5-N-(cyclohexanoyl)aminobenzimidazol-1-yl]-pyrimidine
• 英文别名: N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]cyclohexanecarboxamide
• CAS: 317825-21-1
• 化学式: C₂₆H₂₈N₆O
• 分子量: 440.548
• InChiKey: RDYRCWHLNCNVIY-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  84.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-[(S)-1-phenylethylamino]-4-[5-aminobenzimidazol-1-yl]pyrimidine 、 环己甲酸 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-[(S)-1-Phenylethylamino]-4-[5-N-(cyclohexanoyl)aminobenzimidazol-1-yl]-pyrimidine
  参考文献：
  名称：

  Disubstituted pyrimidines as Lck inhibitors

  摘要：

  We have developed a family of 4-benzimidazolyl-N-piperazinethyl-pyrimidin-2-amines that are subnanomolar inhibitors of Lck. A subset of these Lck inhibitors, with heterocyclic substituents at the benzimidazole C5, are also low-nanomolar inhibitors of cellular IL2 release. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.102

文献信息

• SRC KINASE INHIBITOR COMPOUNDS
  申请人：Merck & Co., Inc.

  公开号：EP1206265A1

  公开（公告）日：2002-05-22
• EP1206265A4
  申请人：——

  公开号：EP1206265A4

  公开（公告）日：2002-08-07
• US6498165B1
  申请人：——

  公开号：US6498165B1

  公开（公告）日：2002-12-24
• [EN] SRC KINASE INHIBITOR COMPOUNDS<br/>[FR] COMPOSES INHIBITEURS DE LA SRC KINASE
  申请人：MERCK & CO INC

  公开号：WO2001000213A1

  公开（公告）日：2001-01-04

  Pyrimidine compounds (Formula I), or their pharmaceutically acceptable salts, hydrates, solvates, crystal forms and individual diastereomers, and pharmaceutical compositions including the same, which are inhibitors of tyrosine kinase enzymes, and as such are useful in the prophylaxis and treatment of protein tyrosine kinase-associated disorders, such as immune diseases, hyperproliferative disorders and other diseases in which inappropriate protein kinase action is believed to play a role, such as cancer, angiogensis, atherosclerosis, graft rejection, rheumatoid arthritis and psoriasis.
• Disubstituted pyrimidines as Lck inhibitors
  作者：Julianne A. Hunt、Richard T. Beresis、Joung L. Goulet、Mark A. Holmes、Xinfang J. Hong、Ernest Kovacs、Sander G. Mills、Rowena D. Ruzek、Frederick Wong、Jeffrey D. Hermes、Young-Whan Park、Scott P. Salowe、Lisa M. Sonatore、Lin Wu、Andrea Woods、Dennis M. Zaller、Peter J. Sinclair

  DOI：10.1016/j.bmcl.2009.07.102

  日期：2009.9

  We have developed a family of 4-benzimidazolyl-N-piperazinethyl-pyrimidin-2-amines that are subnanomolar inhibitors of Lck. A subset of these Lck inhibitors, with heterocyclic substituents at the benzimidazole C5, are also low-nanomolar inhibitors of cellular IL2 release. (C) 2009 Elsevier Ltd. All rights reserved.