isoquinoline-4,5-diamine | 110191-89-4

• 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: isoquinoline-4,5-diamine
• 英文别名: 4,5-isoquinolinediamine
• CAS: 110191-89-4
• 化学式: C₉H₉N₃
• mdl: MFCD18448122
• 分子量: 159.191
• InChiKey: GTLMOPKLVYFYNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  isoquinoline-4,5-diamine 反应 2.5h， 生成 N-<2-(dimethylamino)ethyl)>pyrido<3,4,5-de>quinazoline-2-carboxamide
  参考文献：
  名称：

  Potential antitumor agents. 53. Synthesis, DNA binding properties, and biological activity of perimidines designed as minimal DNA-intercalating agents

  摘要：

  A series of compounds based on perimidine have been synthesized and evaluated for their DNA-binding properties and antitumor activity. The fused tricyclic permidine chromophore appears to be the minimal structural requirement for intercalative binding to DNA since the mode of binding could be dictated by the position of attachment of the side chain. The intercalating compounds have DNA association constants (log K = 5.8-6.5) and cytotoxic potencies (IC50 = 500-1500 nM) comparable to those shown by other classes of linear, tricyclic DNA-intercalating antitumor agents (acridinecarboxamides, phenazinecarboxamides), but none of the compounds showed in vivo activity.

  DOI：

  10.1021/jm00394a025
• 作为产物：
  描述：

  5-硝基异喹啉 在 palladium on activated charcoal 氢气 、 硝酸 、 乙酸酐 作用下， 以 溶剂黄146 为溶剂， 25.0~120.0 ℃ 、275.79 kPa 条件下， 反应 2.0h， 生成 isoquinoline-4,5-diamine
  参考文献：
  名称：

  Woodgate, Paul D.; Herbert, John M.; Denny, William A., Heterocycles, 1987, vol. 26, # 4, p. 1029 - 1036

  摘要：

  DOI：

文献信息

• WOODGATE, PAUL D.;HERBERT, JOHN M.;DENNY, WILLIAM A., HETEROCYCLES, 26,(1987) N 4, 1029-1036
  作者：WOODGATE, PAUL D.、HERBERT, JOHN M.、DENNY, WILLIAM A.

  DOI：——

  日期：——
• WÄSSRIGE SYNTHESE VON PERYLENPIGMENTEN
  申请人：BASF SE

  公开号：EP2176356B1

  公开（公告）日：2012-02-22
• SYNTHESE VON FARBMITTELN IN MISCHAPPARATUREN
  申请人：BASF SE

  公开号：EP2235112B1

  公开（公告）日：2014-03-12
• AQUEOUS SYNTHESIS OF PERYLENE PIGMENTS
  申请人：Loebel Johannes

  公开号：US20100184983A1

  公开（公告）日：2010-07-22

  A process for preparing perylene pigments of the general formula (Ia) or (Ib) or mixtures thereof, by reacting perylenetetracarboxylic acids or functional derivatives thereof with aromatic diamines, where R 1 , R 2 may be the same or different and may each independently be phenylene, naphthylene or pyridylene, where R 1 , R 2 may each be mono- or polysubstituted by C 1 -C 22 -alkyl, C 3 -C 22 -alkenyl, C 1 -C 22 -alkoxy, hydroxyl and/or halogen, X 1 , X 2 , X 3 , X 4 , X 5 , X 6 , X 7 , X 8 may be the same or different and may each independently be hydrogen or halogen, wherein the reaction is performed in the presence of a secondary or tertiary amine in an aqueous reaction medium.
• SYNTHESIS OF COLORANTS IN MIXING APPARATUS
  申请人：Loebel Johannes

  公开号：US20100242792A1

  公开（公告）日：2010-09-30

  A process for preparing colorants of the general formula (Ia), (Ib) or (Ic) or mixtures thereof, comprises reacting (a) tetracarboxylic acids or their functional derivatives with (b) at least one compound selected from i. aliphatic amines, ii. aromatic amines, iii. aliphatic diamines, iv. aromatic diamines, (c) optionally in the presence of further additives, (d) optionally in the presence of wetting agents in a mixing apparatus. These colorants are useful for coloration of macromolecular organic and inorganic materials of natural and synthetic origin.