1-(2-aminoethyl)benzo[cd]indol-2(1H)-one | 1016729-66-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 1-(2-aminoethyl)benzo[cd]indol-2(1H)-one
• 英文别名: 1-(2-Aminoethyl)benzo[cd]indol-2-one
• CAS: 1016729-66-0
• 化学式: C₁₃H₁₂N₂O
• mdl: MFCD09930334
• 分子量: 212.251
• InChiKey: HSMLXNLTTXEFNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.153
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(2-(2-oxobenzo[cd]indol-1(2H)-yl)ethyl)isoindoline-1,3-dione 在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以80%的产率得到1-(2-aminoethyl)benzo[cd]indol-2(1H)-one
  参考文献：
  名称：

  Development of Unsymmetrical Dyads As Potent Noncarbohydrate-Based Inhibitors against Human β-N-Acetyl-d-hexosaminidase

  摘要：

  Human beta-N-acetyl-D-hexosaminidase has gained much attention due to its roles in several pathological processes and been considered as potential targets for disease therapy. A novel and efficient skeleton, which was an unsymmetrical dyad containing naphthalimide and methoxyphenyl moieties with an alkylamine spacer linkage as a noncarbohydrate-based inhibitor, was synthesized, and the activities were valuated against human beta-N-acetyl-D-hexosaminidase. The most potent inhibitor exhibits high inhibitory activity with K-i values of 0.63 mu M. The straightforward synthetic manner of these unsymmetrical dyads and understanding of the binding model cold be advantageous for further structure optimization and development of new therapeutic agents for Hex-related diseases.

  DOI：

  10.1021/ml300475m

文献信息

• OPTICAL FILTER
  申请人：Mae Yukiko

  公开号：US20110152538A1

  公开（公告）日：2011-06-23

  An optical filter containing at least one naphtholactam derivative represented by general formula (I), wherein X is oxygen or sulfur; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and Y are each hydrogen, halogen, nitro, cyano, aldehyde, carboxyl, hydroxyl, —NRR′, organosilyl, optionally substituted C1-C30 alkyl, optionally substituted C6-C30 aryl, or optionally substituted C7-C30 arylalkyl; and R and R′ are each hydrogen, optionally substituted C1-C30 alkyl, or optionally substituted C6-C30 aryl.

  一个包含至少一种由通式（I）表示的萘内酰胺衍生物的光学滤光片，其中X是氧或硫；R1、R2、R3、R4、R5、R6和Y分别是氢、卤素、硝基、氰基、醛基、羧基、羟基、—NRR′、有机硅基、可选地取代的C1-C30烷基、可选地取代的C6-C30芳基或可选地取代的C7-C30芳基烷基；R和R′分别是氢、可选地取代的C1-C30烷基或可选地取代的C6-C30芳基。
• US8350054B2
  申请人：——

  公开号：US8350054B2

  公开（公告）日：2013-01-08
• Development of Unsymmetrical Dyads As Potent Noncarbohydrate-Based Inhibitors against Human β-<i>N</i>-Acetyl-<scp>d</scp>-hexosaminidase
  作者：Peng Guo、Qi Chen、Tian Liu、Lin Xu、Qing Yang、Xuhong Qian

  DOI：10.1021/ml300475m

  日期：2013.6.13

  Human beta-N-acetyl-D-hexosaminidase has gained much attention due to its roles in several pathological processes and been considered as potential targets for disease therapy. A novel and efficient skeleton, which was an unsymmetrical dyad containing naphthalimide and methoxyphenyl moieties with an alkylamine spacer linkage as a noncarbohydrate-based inhibitor, was synthesized, and the activities were valuated against human beta-N-acetyl-D-hexosaminidase. The most potent inhibitor exhibits high inhibitory activity with K-i values of 0.63 mu M. The straightforward synthetic manner of these unsymmetrical dyads and understanding of the binding model cold be advantageous for further structure optimization and development of new therapeutic agents for Hex-related diseases.