2-甲基磺酰基乙脒 | 105324-23-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-甲基磺酰基乙脒
• 英文名称: 2-methylthioacetamidine
• 英文别名: 2-Methylsulfanyl-Acetamidine；2-methylsulfanylethanimidamide
• CAS: 105324-23-0
• 化学式: C₃H₈N₂S
• 分子量: 104.176
• InChiKey: IPXQJGJVWOCNPS-UHFFFAOYSA-N

物化性质

• 沸点：
  173.7±42.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  75.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  Ethyl 2-(methylthio)acetimidate hydrochloride 在 氨 作用下， 以 乙醇 为溶剂， 反应 72.0h， 生成 2-甲基磺酰基乙脒
  参考文献：
  名称：

  Inhibitors of human nitric oxide synthase isoforms with the carbamidine moiety as a common structural element

  摘要：

  Identification of potent and selective inhibitors of inducible nitric oxide synthase (NOS) is of great interest because of their therapeutic potential for treatment of diseases mediated by excess production of nitric oxide. We present here a comparison of potency and selectivity for amino acid and nonamino acid based compounds as inhibitors of human inducible, human endothelial constitutive and human neuronal constitutive NOS isoforms. In addition, a novel series of substituted amidines has been identified as NOS inhibitors. 2-Methylthioacetamidine and 2-thienylcarbamidine were the most potent of the series examined with IC50 values of 3.9 and 2.9 mu M for human neuronal constitutive NOS. Cyclopropylcarbamidine and 2-thienylcarbamidine were the most potent inhibitors for human inducible NOS with IC50 values of 5.2 and 6.5 mu M, respectively. These substituted amidines represent a new class of NOS inhibitors acid provide a foundation for potential therapeutic agents. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0968-0896(96)00148-4

文献信息

• Inhibitors of human nitric oxide synthase isoforms with the carbamidine moiety as a common structural element
  作者：William M. Moore、R. Keith Webber、Kam F. Fok、Gina M. Jerome、Christine M. Kornmeier、Foe S. Tjoeng、Mark G. Currie

  DOI：10.1016/0968-0896(96)00148-4

  日期：1996.9

  Identification of potent and selective inhibitors of inducible nitric oxide synthase (NOS) is of great interest because of their therapeutic potential for treatment of diseases mediated by excess production of nitric oxide. We present here a comparison of potency and selectivity for amino acid and nonamino acid based compounds as inhibitors of human inducible, human endothelial constitutive and human neuronal constitutive NOS isoforms. In addition, a novel series of substituted amidines has been identified as NOS inhibitors. 2-Methylthioacetamidine and 2-thienylcarbamidine were the most potent of the series examined with IC50 values of 3.9 and 2.9 mu M for human neuronal constitutive NOS. Cyclopropylcarbamidine and 2-thienylcarbamidine were the most potent inhibitors for human inducible NOS with IC50 values of 5.2 and 6.5 mu M, respectively. These substituted amidines represent a new class of NOS inhibitors acid provide a foundation for potential therapeutic agents. Copyright (C) 1996 Elsevier Science Ltd