N-[11'-(13'H-Dibenzo[a,g]-fluorenyl)]-4-(1'-piperidinyl)-butane-1,4-dicarboxiamide | 272769-18-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: N-[11'-(13'H-Dibenzo[a,g]-fluorenyl)]-4-(1'-piperidinyl)-butane-1,4-dicarboxiamide
• 英文别名: 4-oxo-N-(9-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-4-piperidin-1-ylbutanamide
• CAS: 272769-18-3
• 化学式: C₃₀H₂₈N₂O₂
• 分子量: 448.565
• InChiKey: IFKXWNCGPRFXEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-[11'-(13'H-Dibenzo[a,g]-fluorenyl)]-4-(1'-piperidinyl)-butane-1,4-dicarboxiamide 在 sodium tetrahydroborate 、 正丁基锂 作用下， 以 四氢呋喃 、 乙醇 、 环己烷 为溶剂， 反应 1.5h， 生成 N-[11'-(13'H-Dibenzo[a,g]-fluorene-13'-hydroxy)]-4-(1'-piperidinyl)-butane-1,4-dicarboxiamide
  参考文献：
  名称：

  Polycyclic aromatic compounds as anticancer agents: synthesis and biological evaluation of dibenzofluorene derivatives

  摘要：

  Highly regioselective electrophilic substitution of dibenzofluorene was achieved and the nitro derivative was transformed to a variety of new anticancer agents. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00213-3
• 作为产物：
  描述：

  4-氧基-4-哌啶基-1-丁酸 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.08h， 生成 N-[11'-(13'H-Dibenzo[a,g]-fluorenyl)]-4-(1'-piperidinyl)-butane-1,4-dicarboxiamide
  参考文献：
  名称：

  Polycyclic aromatic compounds as anticancer agents: synthesis and biological evaluation of dibenzofluorene derivatives

  摘要：

  Highly regioselective electrophilic substitution of dibenzofluorene was achieved and the nitro derivative was transformed to a variety of new anticancer agents. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00213-3

文献信息

• Antitumor dibenzofluorene derivatives
  申请人：Board of Regents, The University of Texas System

  公开号：US06362200B1

  公开（公告）日：2002-03-26

  Dibenzofluorene derivatives having a formula selected from the group consisting of and salts thereof have antitumor activity. At least one of R1-R13 in formula (I) or R1-R12 in formula (II) is —R14Z. R14 is a substituted or unsubstituted amino or amido group having from 1-12 carbon atoms, and Z is a substituted or unsubstituted heterocyclic group having from 1-12 carbon atoms. The remainder of R1-R13 in formula (I) or R1-R12 in formula (II) are independently selected from the group consisting of hydrogen, hydroxyl, halogen, nitro, substituted or unsubstituted amino or amido groups having from 1-12 carbon atoms, and alkyl groups having 1-12 carbon atoms.

  二苯并芴衍生物具有以下组成的公式，其盐具有抗肿瘤活性。在公式（I）中的R1-R13中的至少一个或在公式（II）中的R1-R12中的至少一个是—R14Z。其中，R14是具有1-12个碳原子的取代或未取代氨基或酰胺基团，Z是具有1-12个碳原子的取代或未取代杂环基团。在公式（I）中的R1-R13的其余部分或在公式（II）中的R1-R12是独立地从氢、羟基、卤素、硝基、具有1-12个碳原子的取代或未取代氨基或酰胺基团以及具有1-12个碳原子的烷基基团的组成中选择的。
• Polycyclic aromatic compounds as anticancer agents: synthesis and biological evaluation of dibenzofluorene derivatives
  作者：Frederick F Becker、Chhanda Mukhopadhyay、Linda Hackfeld、Indrani Banik、Bimal K Banik

  DOI：10.1016/s0968-0896(00)00213-3

  日期：2000.12

  Highly regioselective electrophilic substitution of dibenzofluorene was achieved and the nitro derivative was transformed to a variety of new anticancer agents. (C) 2000 Elsevier Science Ltd. All rights reserved.