MC1742

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: MC1742
• 英文别名: 5-[(4-[1,1'-Biphenyl]-4-yl-1,6-dihydro-6-oxo-2-pyrimidinyl)thio]-N-hydroxypentanamide；N-hydroxy-5-[[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentanamide
• 化学式: C₂₁H₂₁N₃O₃S
• 分子量: 395.482
• InChiKey: AOFVDNFTELWRHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  116
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-((4-([1,1'-biphenyl]-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)pentanoic acid 在 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.17h， 生成 MC1742
  参考文献：
  名称：

  Novel Histone Deacetylase Inhibitors Induce Growth Arrest, Apoptosis, and Differentiation in Sarcoma Cancer Stem Cells

  摘要：

  Musculoskeletal sarcomas are aggressive malignancies of bone and soft tissues often affecting, children and adolescents. Histone deacetylase inhibitors (HDACi) have been proposed to counteract Cancer stem cells (CSCs) in solid neoplasms. When tested in human osteosarcoma, rhabdomyosarcoma, and Ewing's sarcoma Stem cells, the new HDACi MC1742 (1) and MC2625 (2) increased acetyl-H3 and acetyl-tubulin levels and inhibited CSC growth by apoptosis induction. At nontoxic doses, 1 promoted osteogenic differentiation. Further investigation with 1 will be done in prolinical sarcoma model.

  DOI：

  10.1021/acs.jmedchem.5b00126

文献信息

• TREATMENT OF PARASITIC DISEASES USING KDAC INHIBITOR COMPOUNDS
  申请人：Washington University

  公开号：US20170035759A1

  公开（公告）日：2017-02-09

  Methods of using KDAC inhibitor compounds for the treatment of various parasitic diseases are described.