KYS05063 | 863297-29-4

• 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: KYS05063
• 英文别名: N-[(4-aminophenyl)methyl]-2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide
• CAS: 863297-29-4
• 化学式: C₂₄H₃₁N₅O
• 分子量: 405.543
• InChiKey: IJALZLYIOAZOPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  74
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  KYS05063 、 4-氟苯磺酰氯 在 吡啶 作用下， 生成 KYS05065
  参考文献：
  名称：

  T-type Ca2+ channel blockers suppress the growth of human cancer cells

  摘要：

  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.

  DOI：

  10.1016/j.bmcl.2008.06.034
• 作为产物：
  描述：

  2-nitrocinnamic acid 在 palladium on activated charcoal 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 22.0h， 生成 KYS05063
  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

• Growth inhibition of human cancer cells in vitro by T-type calcium channel blockers
  作者：Jae Yeol Lee、Seong Jun Park、Sung Jun Park、Min Joo Lee、Hyewhon Rhim、Seon Hee Seo、Ki-Sun Kim

  DOI：10.1016/j.bmcl.2006.07.046

  日期：2006.10

  This paper describes the preliminary biological results that novel T-type calcium channel blockers inhibit the growth of human cancer cells by blocking calcium influx into the cell, based on unknown mechanism on the cell cycle responsible for cellular proliferation. Among the selected compounds from compound library, compound 9c (KYS05041) was identified to be nearly equipotent with Cisplatin against some human cancers in the micromolar range. (c) 2006 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.
• 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.