N-苯甲酰基-S-甲基异硫脲 | 25508-17-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-苯甲酰基-S-甲基异硫脲
• 英文名称: N-Benzoyl-S-methyl-isothioharnstoff
• 英文别名: methyl N-benzoylcarbamimidothioate
• CAS: 25508-17-2
• 化学式: C₉H₁₀N₂OS
• 分子量: 194.257
• InChiKey: WIKMCIXLAMJFBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-苯甲酰基-S-甲基异硫脲 在 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 49.0h， 生成 1,5-diphenyl-1H-1,2,4-triazol-3-amine
  参考文献：
  名称：

  1,5-二芳基-3-氨基-1,2,4-三唑的区域选择性微波合成和衍生及其胆碱酯酶抑制特性研究†

  摘要：

  在这里，我们描述了一种有效的一锅区域选择性合成方案的开发，以从N-酰基-N - Boc-硫代氨基甲酸酯获得N-保护或N-去保护的 1,5-二芳基-3-氨基-1,2,4-三唑. 这种使用微波辐射和低反应时间（最多 1 小时）的改进方案提供了所需的化合物，产率从 50% 到 84% 不等。这种化学方法可用于具有电子不同取代基的各种芳族基团。氨基的设计和正确衍生导致化合物能够以良好的 IC 50抑制胆碱酯酶高达 1 μM。此外，通过动力学和分子模型评估描述了该系列化合物的作用方式（混合型）和SAR分析，显示了该类化合物作为这种生物活性的新支架的潜力。

  DOI：

  10.1039/c9ra04105b
• 作为产物：
  描述：

  N-Benzoyl-dithiocarbaminsaeure-methylester 在 氨 、 sodium methylate 作用下， 生成 N-苯甲酰基-S-甲基异硫脲
  参考文献：
  名称：

  Wheeler; Merriam, Journal of the American Chemical Society, 1901, vol. 23, p. 298

  摘要：

  DOI：

文献信息

• Solution-Phase, parallel synthesis and pharmacological evaluation of acylguanidine derivatives as potential sodium channel blockers
  作者：Seetharamaiyer Padmanabhan、Ruth C Lavin、Paresh M Thakker、Jinqing Guo、Lu Zhang、Deke Moore、Michael E Perlman、Cassandra Kirk、Deborah Daly、Kathy J Burke-Howie、Teresa Wolcott、Suchitra Chari、David Berlove、James B Fischer、William F Holt、Graham J Durant、Robert N McBurney

  DOI：10.1016/s0960-894x(01)00644-8

  日期：2001.12

  Solution-phase synthesis of various acylguanidine derivatives and the evaluation of a small library of compounds as potential sodium channel blockers are described.

  描述了各种酰基胍衍生物的溶液相合成和作为潜在的钠通道阻滞剂的化合物小文库的评估。
• A GENERAL PROCEDURE FOR THE SYNTHESIS OF ACYLGUANIDINES DERIVED FROM ALIPHATIC AND AROMATIC AMINES
  作者：Seetharamaiyer Padmanabhan、Ruth C. Lavin、Paresh M. Thakkar、Graham J. Durant

  DOI：10.1081/scc-100105128

  日期：2001.1

  Condensation of aliphatic and aromatic amines with 1-aroyl- S-methylisothiourea in the presence of triethylamine affords acylguanidines in moderate to good yields. An improved procedure for the generation of 1-aroyl-S-methylisothiourea derivatives is described.

  在三乙胺的存在下，脂肪族和芳香族胺与 1-芳酰基-S-甲基异硫脲的缩合得到中等至良好产率的酰基胍。描述了一种用于生成 1-芳酰基-S-甲基异硫脲衍生物的改进程序。
• Antibiotic for methicillin resistant bacteria
  申请人：Research Corporation Technologies, Inc.

  公开号：US06110925A1

  公开（公告）日：2000-08-29

  The present invention is directed to anti-bacterial and anti-tumor agents and the synthesis thereof.

  本发明涉及抗菌和抗肿瘤剂及其合成。
• Substituted guanidinedicarbonyl derivatives
  申请人：American Cyanamid Company

  公开号：US04977189A1

  公开（公告）日：1990-12-11

  This disclosure describes novel substituted guanidinedicarbonyl derivatives which possess anxiolytic activity and are also useful as agents for the treatment of cognitive and related neural behavioral problems in mammals.

  本披露描述了一种新型的取代基胍二羧酸衍生物，具有抗焦虑活性，并且也可用作哺乳动物认知和相关神经行为问题的治疗剂。
• Risk-resistance adaptation model for caregivers and their children with sickle cell syndromes
  作者：Ronald T. Brown、Richard Lambert、Danielle Devine、Kevin Baldwin、Robert Casey、Karla Doepke、Carolyn E. Ievers、Lewis Hsu、Iris Buchanan、James Eckman

  DOI：10.1007/bf02895780

  日期：2000.6

  This investigation examined the risk-resistance adaptation model for children with sickle cell disease and their primary caregivers. Participants were 55 children, ranging in age from 5 to 16 years with a mean age of 9 years 2 months, diagnosed with sickle cell disease and their primary caregivers, recruited from a university medical center Measures included adjustment (i.e. primary caregiver and child adjustment), risk factors (i.e. disease and disability, functional independence, and psychosocial stressors), resistance factors (i.e, intrapersonal health locus of control, social-ecological), and stress processing (coping). Primary caregivers' adjustment was associated with developmental coping, R-change(2) = .08, and child adaptation was associated with an internal health locus of control, R-change(2) = .22. An indirect effect of primary caregivers' coping on child adjustment was found through influence on primary caregivers' adjustment, R-change(2) = .11. The findings support research among other chronically ill populations that suggests an association between coping and disease adjustment. The results were interpreted to support the use of theoretically driven models in predicting the adaptation of children with chronic illness and adjustment in their caregivers.