2-(甲基磺酰基)盐酸乙脒 | 183180-66-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 中文名称: 2-(甲基磺酰基)盐酸乙脒
• 英文名称: 2-(methylsulfonyl)ethanimidamide
• 英文别名: 2-methylsulfonylethanimidamide；2-(Methanesulphonyl)acetamidine
• CAS: 183180-66-7
• 化学式: C₃H₈N₂O₂S
• mdl: MFCD09745063
• 分子量: 136.175
• InChiKey: BNWHJVHAENLIEB-UHFFFAOYSA-N

物化性质

• 沸点：
  338.9±44.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  92.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(甲基磺酰基)盐酸乙脒 、 丙二酸二乙酯 在 potassium carbonate 作用下， 反应 2.0h， 生成 2-(methylsulfonylmethyl)pyrimidine-4,6-diol
  参考文献：
  名称：

  WO2007/80382

  摘要：

  公开号：
• 作为产物：
  描述：

  甲基磺酰乙腈 在 盐酸 、 乙醇 、 氨 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 48.0h， 生成 2-(甲基磺酰基)盐酸乙脒
  参考文献：
  名称：

  WO2007/80382

  摘要：

  公开号：

文献信息

• BROMODOMAIN INHIBITORS
  申请人：Quanticel Pharmaceuticals

  公开号：US20150111885A1

  公开（公告）日：2015-04-23

  The present invention relates to substituted heterocyclic derivative compounds, compositions comprising said compounds, and the use of said compounds and compositions for epigenetic regulation by inhibition of bromodomain-mediated recognition of acetyl lysine regions of proteins, such as histones. Said compositions and methods are useful for the treatment of cancer and neoplastic disease.

  本发明涉及替代杂环衍生物化合物，包括所述化合物的组合物，以及通过抑制溴结构域介导的蛋白质乙酰赖氨酸区域的识别来进行表观遗传调控的所述化合物和组合物的用途。所述组合物和方法对于癌症和肿瘤性疾病的治疗是有用的。
• MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY
  申请人：Dishington Allan Paul

  公开号：US20110034454A1

  公开（公告）日：2011-02-10

  A compound of formula (I) or a salt, ester or prodrug thereof, processes for their preparation, pharmaceutical compositions containing them and their use in therapy, for example in the treatment of proliferative disease such as cancer and particularly in disease mediated by an mTOR kinase and/or one or more PI3K enzyme.

  化合物的公式（I）或其盐、酯或前药，它们的制备过程，包含它们的药物组合物以及它们在治疗中的用途，例如在治疗增生性疾病如癌症中，特别是在由mTOR激酶和/或一个或多个PI3K酶介导的疾病中。
• 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