KYS05068 | 863297-27-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: KYS05068
• 英文别名: 2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[(4-nitrophenyl)methyl]acetamide
• CAS: 863297-27-2
• 化学式: C₂₁H₂₅N₅O₃
• 分子量: 395.461
• InChiKey: PGVFYNBHHLZSPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  93.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  KYS05068 在 palladium on activated charcoal 吡啶 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 26.0h， 生成 KYS05071
  参考文献：
  名称：

  Synthesis and SAR studies of a novel series of T-type calcium channel blockers

  摘要：

  For the novel, potent, and selective T-type Ca2+ channel blockers, a series of sulfonamido-containing 3,4-dihydroquinazoline derivatives were prepared and evaluated for their blocking actions on T- and N-type Ca2+ channels. Among them, 9c (KYS05064, IC50 = 0.96 +/- 0.22 mu M) was found to be as potent as Mibefradil and also showed the highest selectivity for T-type Ca2+ channel with no effect on N-type Ca2+ channel. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2006.01.005
• 作为产物：
  描述：

  2-nitrocinnamic acid 在 lithium hydroxide 、 硫酸 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 tin(ll) chloride 、 二溴三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 乙酸乙酯 、 苯 为溶剂， 反应 20.0h， 生成 KYS05068
  参考文献：
  名称：

  Synthesis and SAR studies of a novel series of T-type calcium channel blockers

  摘要：

  For the novel, potent, and selective T-type Ca2+ channel blockers, a series of sulfonamido-containing 3,4-dihydroquinazoline derivatives were prepared and evaluated for their blocking actions on T- and N-type Ca2+ channels. Among them, 9c (KYS05064, IC50 = 0.96 +/- 0.22 mu M) was found to be as potent as Mibefradil and also showed the highest selectivity for T-type Ca2+ channel with no effect on N-type Ca2+ channel. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2006.01.005

文献信息

• US7271260B2
  申请人：——

  公开号：US7271260B2

  公开（公告）日：2007-09-18
• Synthesis and SAR studies of a novel series of T-type calcium channel blockers
  作者：Seong Jun Park、Sung Jun Park、Min Joo Lee、Hyewhon Rhim、Yoonjee Kim、Jung-Ha Lee、Bong Young Chung、Jae Yeol Lee

  DOI：10.1016/j.bmc.2006.01.005

  日期：2006.5

  For the novel, potent, and selective T-type Ca2+ channel blockers, a series of sulfonamido-containing 3,4-dihydroquinazoline derivatives were prepared and evaluated for their blocking actions on T- and N-type Ca2+ channels. Among them, 9c (KYS05064, IC50 = 0.96 +/- 0.22 mu M) was found to be as potent as Mibefradil and also showed the highest selectivity for T-type Ca2+ channel with no effect on N-type Ca2+ channel. (c) 2006 Published by Elsevier Ltd.