N4-(4-溴苯基)嘧啶-2,4,6-三胺 | 6633-66-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N4-(4-溴苯基)嘧啶-2,4,6-三胺
• 英文名称: N⁴-(4-bromophenyl)pyrimidine-2,4,6-triamine
• 英文别名: N⁴-(4-bromo-phenyl)-pyrimidine-2,4,6-triamine；2,6-Diamino-4-(4-brom-anilino)-pyrimidin；n4-(4-Bromophenyl)pyrimidine-2,4,6-triamine；4-N-(4-bromophenyl)pyrimidine-2,4,6-triamine
• CAS: 6633-66-5
• 化学式: C₁₀H₁₀BrN₅
• mdl: MFCD00666825
• 分子量: 280.127
• InChiKey: FDRJYMKXYSKWMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  89.8
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  N4-(4-溴苯基)嘧啶-2,4,6-三胺 、 对苯醌 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以6%的产率得到2-amino-4-((4-bromophenyl)amino)-9H-pyrimido[4,5-b]indol-6-ol
  参考文献：
  名称：

  Discovery of novel dual inhibitors of receptor tyrosine kinases EGFR and PDGFR-β related to anticancer drug resistance

  摘要：

  With ongoing resistance problems against the marketed EGFR inhibitors having a quinazoline core scaffold there is a need for the development of novel inhibitors having a modified scaffold and, thus, expected lower EGFR resistance problems. An additional problem concerning EGFR inhibitor resistance is an observed heterodimerization of EGFR with PDGFR-beta that neutralises the sole inhibitor activity towards EGFR. We developed novel pyrimido[4,5-b] indoles with varied substitution patterns at the 4-anilino residue to evaluate their EGFR and PDGFR-beta inhibiting properties. We identified dual inhibitors of both EGFR and PDGFR-beta in the nanomolar range which have been initially screened in cancer cell lines to prove a benefit of both EGFR and PDGFR-beta inhibition.

  DOI：

  10.1080/14756366.2017.1370583
• 作为产物：
  描述：

  2,4-二氨基-6-氯嘧啶 、 4-溴苯胺 以 N-甲基吡咯烷酮 为溶剂， 以81%的产率得到N4-(4-溴苯基)嘧啶-2,4,6-三胺
  参考文献：
  名称：

  Discovery of novel dual inhibitors of receptor tyrosine kinases EGFR and PDGFR-β related to anticancer drug resistance

  摘要：

  With ongoing resistance problems against the marketed EGFR inhibitors having a quinazoline core scaffold there is a need for the development of novel inhibitors having a modified scaffold and, thus, expected lower EGFR resistance problems. An additional problem concerning EGFR inhibitor resistance is an observed heterodimerization of EGFR with PDGFR-beta that neutralises the sole inhibitor activity towards EGFR. We developed novel pyrimido[4,5-b] indoles with varied substitution patterns at the 4-anilino residue to evaluate their EGFR and PDGFR-beta inhibiting properties. We identified dual inhibitors of both EGFR and PDGFR-beta in the nanomolar range which have been initially screened in cancer cell lines to prove a benefit of both EGFR and PDGFR-beta inhibition.

  DOI：

  10.1080/14756366.2017.1370583

文献信息

• Debi, Journal of the Indian Chemical Society, 1987, vol. 64, # 10, p. 612 - 615
  作者：Debi

  DOI：——

  日期：——
• Debi, Journal of the Indian Chemical Society, 1989, vol. 66, # 7, p. 489 - 492
  作者：Debi

  DOI：——

  日期：——
• Debi, Journal of the Indian Chemical Society, 1989, vol. 66, # 6, p. 418 - 421
  作者：Debi

  DOI：——

  日期：——
• PEPTIDOMIMETIC MODULATORS OF CELL ADHESION
  申请人：Gour J. Barbara

  公开号：US20080081831A1

  公开（公告）日：2008-04-03

  Peptidomimetics of cyclic peptides, and compositions comprising such peptidomimetics are provided. The peptidomimetics have a three-dimensional structure that is substantially similar to a three-dimensional structure of a cyclic peptide that comprises a cadherin cell adhesion recognition sequence HAV. Methods for using such peptidomimetics for modulating cadherin-mediated cell adhesion in a variety of contexts are also provided.
• US7268115B2
  申请人：——

  公开号：US7268115B2

  公开（公告）日：2007-09-11