N-acetyl-S-methylisothiourea | 66356-40-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫脲类
• 英文名称: N-acetyl-S-methylisothiourea
• 英文别名: N-Acetyl-S-methyl-thioharnstoff；1-Acetyl-2-methyl-2-thiopseudourea；methyl N-acetylcarbamimidothioate
• CAS: 66356-40-9
• 化学式: C₄H₈N₂OS
• mdl: MFCD24394041
• 分子量: 132.186
• InChiKey: JEWBGTQEQBEXAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 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-acetyl-S-methylisothiourea 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 以167 mg (52%)的产率得到2-甲基-2-疏基硫酸脲
  参考文献：
  名称：

  Antibiotic for methicillin resistant bacteria

  摘要：

  本发明涉及抗菌和抗肿瘤剂及其合成。

  公开号：

  US06110925A1
• 作为产物：
  描述：

  2-甲基-2-疏基硫酸脲 在 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 以26 mg (32%)的产率得到N-acetyl-S-methylisothiourea
  参考文献：
  名称：

  Antibiotic for methicillin resistant bacteria

  摘要：

  本发明涉及抗菌和抗肿瘤剂及其合成。

  公开号：

  US06110925A1

文献信息

• SAR studies on dihydropyrimidinone antibiotics
  作者：Lianhong Xu、Lijun Zhang、Robert Jones、Clifford Bryant、Nina Boddeker、Eric Mabery、Gina Bahador、Julia Watson、Jeffery Clough、Murty Arimilli、Wendy Gillette、Dorothy Colagiovanni、Keyu Wang、Craig Gibbs、Choung U. Kim

  DOI：10.1016/j.bmcl.2011.01.099

  日期：2011.3

  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.
• Inhibitors of blood platelet aggregation. Activity of some 1H-benz[de]isoquinolinecarboximidamides on the in vivo blood platelet aggregation induced by collagen
  作者：Tom Beetz、Dick G. Meuleman、Joop H. Wieringa

  DOI：10.1021/jm00348a020

  日期：1982.6

  A series of 33 1H-benz[de]isoquinolinecarboximidamides has been prepared and tested in the rat after intraperitoneal (ip) and/or oral (po) administration for their ability to inhibit the in vivo blood platelet aggregation induced by collagen. In this aggregation test, a considerable number of active compounds were found. Fourteen compounds were active when administered in [0.2 (mmol/kg)/day], five of which also exhibited significant po activity. One compound was toxic after ip administration but was found to be active after po administration without apparent toxicity. It is thought that the solubility of the drug in water is an important factor for the resorption after oral administration and, hence, for its oral activity.
• Chandler, Malcolm; Bamford, Mark J.; Conroy, Richard, Journal of the Chemical Society. Perkin transactions I, 1995, # 9, p. 1173 - 1180
  作者：Chandler, Malcolm、Bamford, Mark J.、Conroy, Richard、Lamont, Brian、Patel, Bina、et al.

  DOI：——

  日期：——
• Synthesis and Antimicrobial Evaluation of TAN-1057A/B Analogs.
  作者：ROBERT M. WILLIAMS、CHENGUANG YUAN、VING J. LEE、SUZANNE CHAMBERLAND

  DOI：10.7164/antibiotics.51.189

  日期：——

  TAN-1057A∼D, dipeptides isolated from bacteria Flexibacter sp. PK-74 and PK-176, are new antibiotics with potent antibacterial activity against methicillin-resistant Staphylococcus aureus (MRSA). We describe, in detail, the synthesis of several TAN-1057A/B analogs by a convergent route featuring a new method to construct the cyclic amidinourea functional group. The biological activity of these substances against methicillin-resistant Staphylococcus aureus (MRSA) is reported.
• COMPOUNDS FOR TREATMENT OF TYPE 2 DIABETES
  申请人：ELMALEH David R.

  公开号：US20240226305A1

  公开（公告）日：2024-07-11

  This invention relates to dual activity compounds and uses thereof for the treatment of type 2 diabetes in patients who are overweight or obese.