KYS05065

• 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: KYS05065
• 英文别名: 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]acetamide
• 化学式: C₃₀H₃₄FN₅O₃S
• 分子量: 563.696
• InChiKey: PEIFDCMYVCGNKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-nitrocinnamic acid 在 palladium on activated charcoal 吡啶 、 lithium hydroxide 、 硫酸 、 氢气 、 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 、 甲醇 、 二氯甲烷 、 水 、 乙酸乙酯 、 苯 为溶剂， 反应 46.0h， 生成 KYS05065
  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

• T-type Ca2+ channel blockers suppress the growth of human cancer cells
  作者：Jae Ho Heo、Han Na Seo、Yun Jeong Choe、Sujin Kim、Chun Rim Oh、Young Deuk Kim、Hyewhon Rhim、Dong Joon Choo、Jungahn Kim、Jae Yeol Lee

  DOI：10.1016/j.bmcl.2008.06.034

  日期：2008.7

  In order to further clarify the role of T-type Ca2+ channels in cell proliferation, we have measured the growth inhibition of human cancer cells by using our potent T-type Ca2+ channel blockers. As a result, KYS05090, a most potent T-type Ca2+ channel blocker, was found to be as potent as doxorubicin against some human cancer cells without acute toxicity. Therefore, this letter provides the biological results that T-type calcium channel is important in regulating the important cellular phenotype transition leading to cell proliferation, and thus novel T-type Ca2+ channel blocker presents new prospects for cancer treatment. (C) 2008 Elsevier Ltd. All rights reserved.
• 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.