2-(benzylthio)acetamidine | 10378-69-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(benzylthio)acetamidine
• 英文别名: Benzylthioacetamidin；S-Benzyl-thioacetamidin；2-benzylsulfanylethanimidamide
• CAS: 10378-69-5
• 化学式: C₉H₁₂N₂S
• mdl: MFCD11134861
• 分子量: 180.274
• InChiKey: DWTUMWQHYUTPFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  75.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(benzylthio)acetamidine 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 2-Benzylthiomethyl-4(3H)-pteridinone
  参考文献：
  名称：

  Synthesis and potential antiallergic activity of new pteridinones and related compounds

  摘要：

  The synthesis and pharmacological profile of a series of 2-alkoxy and 2-phenoxymethyl-3H-pteridin-4-ones and related compounds are described. These compounds displayed antiallergic activity in the passive cutaneous anaphylaxis test in rats. In contrast to both sodium cromoglycate and nedocromil sodium, many of our compounds were active when administered orally. The most potent in this series, 2-ethoxymethyl-3H-pteridin-4-one 2b (LCB 2183) was investigated in other models of allergy and inflammation. The antiallergic activity was confirmed and interesting antiinflammatory properties were observed. It was therefore selected for further development as a human therapeutic agent.

  DOI：

  10.1016/0223-5234(96)80364-3
• 作为产物：
  描述：

  苯甲硫基乙酰腈 生成 2-(benzylthio)acetamidine
  参考文献：
  名称：

  McManus,J.M., Journal of Heterocyclic Chemistry, 1968, vol. 5, p. 137 - 139

  摘要：

  DOI：

文献信息

• 4(3H)-pteridinones, preparation processes and drugs containing them
  申请人：Lipha, Lyonnaise Industrielle Pharmaceutique

  公开号：US05167949A1

  公开（公告）日：1992-12-01

  The present invention relates to 4(3H)-pteridinones represented by the formula: ##STR1## in which X is an oxygen atom or a sulphur atom, Y is a hydrogen atom, a lower alkyl radical, especially a methyl radical, at the 6-position or a hydroxyl group at the 7-position, R.sub.1 is a hydrogen atom, a lower alkyl radical, a substituted or unsubstituted phenyl radical, a benzyl radical, a methoxymethyl group, an acetyl group, a 2-acetoxyethyl group or a 2,2,2-trifluoroethyl group and R.sub.2 is a hydrogen atom or a lower alkyl radical, especially a methyl radical. Application of these compounds as anti-allergic drugs.

  本发明涉及具有以下通式的4(3H)-蝶啶酮：##STR1##其中X是氧原子或硫原子，Y是氢原子、低级烷基基团，特别是6位上的甲基基团或7位上的羟基基团，R1是氢原子、低级烷基基团、取代或未取代的苯基基团、苄基基团、甲氧基甲基基团、乙酰基基团、2-乙酸氧乙基基团或2,2,2-三氟乙基基团，R2是氢原子或低级烷基基团，特别是甲基基团。这些化合物作为抗过敏药物的应用。
• 4(3H)-pteridinone compounds
  申请人：Lipha, Lyonnaise Industrille Pharmaceutique

  公开号：US05270465A1

  公开（公告）日：1993-12-14

  The present invention relates to 4(3H)-pteridinones represented by the formula: ##STR1## in which X is an oxygen atom or a sulphur atom, Y is a hydrogen atom, a lower alkyl radical, especially a methyl radical, at the 6-position or a hydroxyl group at the 7-position, R.sub.1 is a hydrogen atom, a lower alkyl radical, a substituted or unsubstituted phenyl radical, a benzyl radical, a methoxymethyl group, an acetyl group, a 2-acetoxyethyl group or a 2,2,2-trifluoroethyl group and R.sub.2 is a hydrogen atom or a lower alkyl radical, especially a methyl radical. Application of these compounds as anti-allergic drugs.

  本发明涉及由以下式表示的4（3H）-喹嗪酮：##STR1## 其中，X是氧原子或硫原子，Y是氢原子，低碳基，特别是甲基基团，在6位或7位处是羟基基团，R1是氢原子，低碳基，取代或未取代的苯基基团，苄基基团，甲氧基甲基基团，乙酰基基团，2-乙酰氧乙基基团或2,2,2-三氟乙基基团，R2是氢原子或低碳基，特别是甲基基团。这些化合物的应用作为抗过敏药物。
• 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
• Pteridin-4 (3H)-ones, procédés de préparation et médicaments les contenant
  申请人：LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE

  公开号：EP0399856B1

  公开（公告）日：1995-08-09
• AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS
  申请人：G.D. SEARLE & CO.

  公开号：EP0724435B1

  公开（公告）日：2002-08-14