BSG-19

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: BSG-19
• 英文别名: N-[9-(3-methyl-benzylamino)-6-(3-pyrrolidin-1-yl-propionylamino)-acridin-3-yl]-3-pyrrolidin-1-yl-propionamide；N-[9-[(3-methylphenyl)methylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
• 化学式: C₃₅H₄₂N₆O₂
• 分子量: 578.757
• InChiKey: GEXLSMWQIPHMJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  43
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  89.6
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2’,4,4’-四硝基二苯甲酮 在 盐酸 、 sodium carbonate 、 N,N-二异丙基乙胺 、 tin(ll) chloride 、 三氯氧磷 作用下， 以 N,N-二甲基乙酰胺 、 乙腈 为溶剂， 反应 28.0h， 生成 BSG-19
  参考文献：
  名称：

  Structure-based design of benzylamino-acridine compounds as G-quadruplex DNA telomere targeting agents

  摘要：

  The design, synthesis, biophysical and biochemical evaluation is presented of a new series of benzylamino-substituted acridines as G-quadruplex binding telomerase inhibitors. Replacement of the previously reported anilino substituents by benzylamino groups results in enhanced quadruplex interaction, and for one compound, superior telomerase inhibitory activity. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.056

文献信息

• Cancer Treatment Using Specific 3,6,9-Substituted Acridines
  申请人：Martins Christina

  公开号：US20080319001A1

  公开（公告）日：2008-12-25

  The present invention relates to a 3,6,9 acridine compound and optionally substituted derivatives thereof that may be useful in the treatment of cancer. The invention also provides compositions comprising the compounds and uses thereof. Formula (I) wherein each of R 1 , R 2 , R 3 , R 4 and R 5 is either fluorine or is not present (i.e. represents a hydrogen atom); n represents 1 or 2.
• Structure-based design of benzylamino-acridine compounds as G-quadruplex DNA telomere targeting agents
  作者：Cristina Martins、Mekala Gunaratnam、John Stuart、Vaidahi Makwana、Olga Greciano、Anthony P. Reszka、Lloyd R. Kelland、Stephen Neidle

  DOI：10.1016/j.bmcl.2007.01.056

  日期：2007.4

  The design, synthesis, biophysical and biochemical evaluation is presented of a new series of benzylamino-substituted acridines as G-quadruplex binding telomerase inhibitors. Replacement of the previously reported anilino substituents by benzylamino groups results in enhanced quadruplex interaction, and for one compound, superior telomerase inhibitory activity. (c) 2007 Published by Elsevier Ltd.