N-[3-[[4-[5-(6-aminopyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]-5-fluorophenyl]-1-ethynylcyclopropane-1-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[3-[[4-[5-(6-aminopyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]-5-fluorophenyl]-1-ethynylcyclopropane-1-carboxamide
• 化学式: C₂₅H₁₉FN₆O₄S
• 分子量: 518.5
• InChiKey: CBHMKMSIWDYFJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  162
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• IDENTIFICATION OF AN ALTERED THERAPEUTIC SUSCEPTIBILITY TO ANTI-HCMV COMPOUNDS AND OF A RESISTANCE AGAINST ANTI-HCMV COMPOUNDS
  申请人：AiCuris GmbH & Co. KG

  公开号：US20140193802A1

  公开（公告）日：2014-07-10

  The present invention relates to a method for the detection of an altered therapeutic response of a subject infected by HCMV to a treatment with a 3,4 dihydroquinazoline or N-3-[(4-[5-(6-aminopyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl}sulfonyl)amino]-5-fluorophenyl}-1-cyanocyclopropanecarboxamide, a method for the detection of a drug resistance of a HCMV to a 3,4-dihydroquinazoline or N-3-[(4-[5-(6-aminopyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl}sulfonyl)amino]-5-fluorophenyl}-1-cyanocyclopropanecarboxamide, and to a method for the detection of a mutation of a HCMV resulting in a drug resistance to a 3,4-dihydroquinazoline or N-3-[(4-[5-(6-aminopyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl}sulfonyl)amino]-5-fluorophenyl}-1-cyanocyclopropanecarboxamide.