6-chloro-4-[2-methyl-5-(2-morpholinopyrid-4-ylcarbonylamino)anilino]pyrimidine | 334893-17-3

• 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: 6-chloro-4-[2-methyl-5-(2-morpholinopyrid-4-ylcarbonylamino)anilino]pyrimidine
• 英文别名: N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide
• CAS: 334893-17-3
• 化学式: C₂₁H₂₁ClN₆O₂
• 分子量: 424.89
• InChiKey: UURBRQUGNHSRTR-UHFFFAOYSA-N

物化性质

• 沸点：
  585.2±50.0 °C(Predicted)
• 密度：
  1.390±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  92.3
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-chloro-4-[2-methyl-5-(2-morpholinopyrid-4-ylcarbonylamino)anilino]pyrimidine 在 palladium on activated charcoal 甲酸铵 作用下， 以 乙醇 为溶剂， 生成 4-[2-Methyl-5-(2-morpholinopyrid-4-ylcarbonylamino)anilino]pyrimidine
  参考文献：
  名称：

  Novel, potent and selective anilinoquinazoline and anilinopyrimidine inhibitors of p38 MAP kinase

  摘要：

  SAR studies led to the identification of 4-(3-benzoylamino-6-methyl-anilino)quinazolines as potent and selective inhibitors of p38 MAP kinase. Further optimisation led to the identification of a series of 4-(3-benzoylamino-6-methyl-anilino)pyr midines as potent inhibitors of the p38 MAP kinase signalling pathway in vitro and in vivo. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.007
• 作为产物：
  描述：

  N-(4-methyl-3-nitrophenyl)-2-morpholinopyridine-4-carboxamide 在 铁粉 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 正丁醇 为溶剂， 生成 6-chloro-4-[2-methyl-5-(2-morpholinopyrid-4-ylcarbonylamino)anilino]pyrimidine
  参考文献：
  名称：

  Novel, potent and selective anilinoquinazoline and anilinopyrimidine inhibitors of p38 MAP kinase

  摘要：

  SAR studies led to the identification of 4-(3-benzoylamino-6-methyl-anilino)quinazolines as potent and selective inhibitors of p38 MAP kinase. Further optimisation led to the identification of a series of 4-(3-benzoylamino-6-methyl-anilino)pyr midines as potent inhibitors of the p38 MAP kinase signalling pathway in vitro and in vivo. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.007

文献信息

• PYRIMIDINE DERIVATIVES
  申请人：AstraZeneca AB

  公开号：EP1226126B1

  公开（公告）日：2005-01-05
• US6846827B1
  申请人：——

  公开号：US6846827B1

  公开（公告）日：2005-01-25
• [EN] PYRIMIDINE DERIVATIVES<br/>[FR] DERIVES DE PYRIMIDINE
  申请人：ASTRAZENECA AB

  公开号：WO2001027089A1

  公开（公告）日：2001-04-19

  The invention concerns pyrimidine derivatives of Formula (I) wherein m is 0-3 and each R1 is a group such as hydroxy, halogeno, trifluoromethyl and cyano; R3 is hydrogen, halogeno or (1-6C)alkyl; n is 0-2 and each R2 is a group such as hydroxy, halogeno, trifluoromethyl and cyano; p is 0-4; and Q1 is aryl or heteroaryl; or pharmaceutically acceptable salts or in vivo cleavable esters thereof; processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines.
• Novel, potent and selective anilinoquinazoline and anilinopyrimidine inhibitors of p38 MAP kinase
  作者：John G. Cumming、Caroline L. McKenzie、Stuart G. Bowden、Douglas Campbell、David J. Masters、Jason Breed、Philip J. Jewsbury

  DOI：10.1016/j.bmcl.2004.08.007

  日期：2004.11

  SAR studies led to the identification of 4-(3-benzoylamino-6-methyl-anilino)quinazolines as potent and selective inhibitors of p38 MAP kinase. Further optimisation led to the identification of a series of 4-(3-benzoylamino-6-methyl-anilino)pyr midines as potent inhibitors of the p38 MAP kinase signalling pathway in vitro and in vivo. (C) 2004 Elsevier Ltd. All rights reserved.