N--acetamidin | 2208-66-4

• 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: N--acetamidin
• 英文别名: N-quinolin-3-yl-acetamidine；N'-quinolin-3-ylethanimidamide
• CAS: 2208-66-4
• 化学式: C₁₁H₁₁N₃
• 分子量: 185.228
• InChiKey: YMDQIGMIRBCLHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  51.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-氨基喹啉 、 thioacetimidic acid naphthalen-2-ylmethyl ester 以 乙醇 为溶剂， 生成 N--acetamidin
  参考文献：
  名称：

  Screening of NOS activity and selectivity of newly synthesized acetamidines using RP-HPLC

  摘要：

  Nitric Oxide Synthase (NOS) inhibitors could play a powerful role in inflammatory and neurodegenerative diseases. In this work, novel acetamidine derivatives of NOS were synthesized and the inhibitor activity was evalued. To screen the activity and selectivity, the L-citrulline residue, after the enzymatic NOS assay, was derivatized with o-phthaldialdehyde/N-acetyl cysteine (OPA/NAC) and then evaluated by RP-HPLC method with fluorescence detection.All compounds did not affect the activity of endothelial and neuronal isoforms, while nine of them possessed a percentage of iNOS activity at 10 mu M lower than 50%, and were selected for IC50 evaluation. Among them, a compound emerged as a very potent (IC50 of 53 nM) and selective iNOS inhibitor. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jpba.2015.11.045

文献信息

• Screening of NOS activity and selectivity of newly synthesized acetamidines using RP-HPLC
  作者：Marialuigia Fantacuzzi、Cristina Maccallini、Mauro Di Matteo、Alessandra Ammazzalorso、Isabella Bruno、Barbara De Filippis、Letizia Giampietro、Adriano Mollica、Rosa Amoroso

  DOI：10.1016/j.jpba.2015.11.045

  日期：2016.2

  Nitric Oxide Synthase (NOS) inhibitors could play a powerful role in inflammatory and neurodegenerative diseases. In this work, novel acetamidine derivatives of NOS were synthesized and the inhibitor activity was evalued. To screen the activity and selectivity, the L-citrulline residue, after the enzymatic NOS assay, was derivatized with o-phthaldialdehyde/N-acetyl cysteine (OPA/NAC) and then evaluated by RP-HPLC method with fluorescence detection.All compounds did not affect the activity of endothelial and neuronal isoforms, while nine of them possessed a percentage of iNOS activity at 10 mu M lower than 50%, and were selected for IC50 evaluation. Among them, a compound emerged as a very potent (IC50 of 53 nM) and selective iNOS inhibitor. (C) 2015 Elsevier B.V. All rights reserved.