N'-carbamoyl-S,N"-dimethylisothiourea | 112223-14-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: N'-carbamoyl-S,N"-dimethylisothiourea
• 英文别名: methyl N-carbamoyl-N'-methylcarbamimidothioate
• CAS: 112223-14-0
• 化学式: C₄H₉N₃OS
• mdl: MFCD19216400
• 分子量: 147.201
• InChiKey: INAWNXMYPSRWIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  92.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N'-carbamoyl-S,N"-dimethylisothiourea 、 Methyl 3-amino-2-(methylamino)propanoate 在 sodium acetate 作用下， 生成 [1-methyl-5-(methylamino)-6-oxo-4,5-dihydropyrimidin-2-yl]urea
  参考文献：
  名称：

  SAR studies on dihydropyrimidinone antibiotics

  摘要：

  There is an urgent need for the development of novel antimicrobial agents that offer effective treatment against MRSA. Using a new class of dipeptide antibiotic TAN-1057A/B as lead, we designed, synthesized and evaluated analogs of TAN-1057A/B. Several novel dihydropyrimidinone antibiotics demonstrating comparable antibiotic efficacy while possessing favorable selectivity were identified. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.099