6-chloro-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine | 122862-74-2

• 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-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine
• CAS: 122862-74-2
• 化学式: C₁₇H₁₅ClN₄
• 分子量: 310.786
• InChiKey: SVSRQNOXXIOZDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  63.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-甲基哌嗪 、 6-chloro-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 生成 N4-(biphenyl-4-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
  参考文献：
  名称：

  2,4-Diaminopyrimidines as histamine H4 receptor ligands—Scaffold optimization and pharmacological characterization

  摘要：

  The human histamine H-4 receptor (hH(4)R) is a promising new target in the therapy of inflammatory diseases and disorders of the immune system. For the development of new H4R antagonists a broad ligand-based virtual screening was performed resulting in two hits. The dissection of their common annelated aromatic core into its heteromonocyclic components showed that 2,4-diaminopyrimidine is a potent hH(4)R affinity scaffold, which was comprehensively investigated. Structure-activity relationship studies revealed that slight structural changes evoke extensive differences in functional activities and potencies: while o-and p-substituted benzyl amines mainly showed partial agonism, m-substituted and rigidified ones exhibited inverse agonist efficacy. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.08.059
• 作为产物：
  描述：

  2-氨基-4,6-二氯嘧啶 、 4-氨基乙基联苯 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 生成 6-chloro-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine
  参考文献：
  名称：

  2,4-Diaminopyrimidines as histamine H4 receptor ligands—Scaffold optimization and pharmacological characterization

  摘要：

  The human histamine H-4 receptor (hH(4)R) is a promising new target in the therapy of inflammatory diseases and disorders of the immune system. For the development of new H4R antagonists a broad ligand-based virtual screening was performed resulting in two hits. The dissection of their common annelated aromatic core into its heteromonocyclic components showed that 2,4-diaminopyrimidine is a potent hH(4)R affinity scaffold, which was comprehensively investigated. Structure-activity relationship studies revealed that slight structural changes evoke extensive differences in functional activities and potencies: while o-and p-substituted benzyl amines mainly showed partial agonism, m-substituted and rigidified ones exhibited inverse agonist efficacy. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.08.059

文献信息

• PYRIMIDINE DIAMINE DERIVATIVES AS INHIBITORS OF CYTOSOLIC HSP90
  申请人：CALASIA PHARMACEUTICALS, INC.

  公开号：US20160311795A1

  公开（公告）日：2016-10-27

  The present application describes organic compounds that inhibit the activity of cytosolic heat shock protein Hsp90. Also described are methods useful for prophylaxis, treatment, or amelioration of symptoms of diseases or conditions that are responsive to inhibition of Hsp90 activity, such as neurological diseases, proliferative disorders, and infection.