S-(Naphthyl-(1)-methyl)-isothioharnstoff | 46396-26-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: S-(Naphthyl-(1)-methyl)-isothioharnstoff
• 英文别名: Naphthalen-1-ylmethylsulfanylmethanimidamide；naphthalen-1-ylmethyl carbamimidothioate
• CAS: 46396-26-3
• 化学式: C₁₂H₁₂N₂S
• mdl: MFCD01931045
• 分子量: 216.307
• InChiKey: SHGHJFRHODQTAY-UHFFFAOYSA-N

物化性质

• 熔点：
  108 °C (decomp)
• 沸点：
  389.4±35.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 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：

  S-(Naphthyl-(1)-methyl)-isothioharnstoff 在 sodium hydroxide 作用下， 生成 2-(1-萘基甲基硫代)丙酸
  参考文献：
  名称：

  Cagniant,P. et al., Bulletin de la Societe Chimique de France, 1966, p. 236 - 240

  摘要：

  DOI：
• 作为产物：
  描述：

  硫脲 、 (氯甲基)萘 以 乙醇 为溶剂， 生成 S-(Naphthyl-(1)-methyl)-isothioharnstoff
  参考文献：
  名称：

  924.一些取代的甲硫基甲基苯和萘与甲基碘的反应

  摘要：

  DOI：

  10.1039/jr9600004747

文献信息

• THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION
  申请人：RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY

  公开号：US20190031624A1

  公开（公告）日：2019-01-31

  Disclosed herein are compounds of formula I: or a salt thereof and compositions comprising a compound of formula I or a pharmaceutically acceptable salt thereof. Also disclosed herein are methods for treating or preventing a bacterial infection in an animal comprising administering to the animal a compound of formula I or a pharmaceutically acceptable salt thereof, alone or in combination with a bacterial efflux pump inhibitor.

  披露于此的是公式I的化合物： 或其盐以及包含公式I化合物或其药用可接受盐的组成。还披露了用于治疗或预防动物细菌感染的方法，包括向动物单独或与细菌外排泵抑制剂联合给药公式I化合物或其药用可接受盐。
• Targeting G-rich sequence to regulate the transcription of murine double minute (MDM) genes in triple-negative breast cancers
  作者：Yuxin Feng、Xuan Xuan、Yuemiao Hu、Jiaguo Lu、Zhiwen Dong、Ziqiang Sun、Hongying Yao、Lei Hu、Qikun Yin、Yi Liu、Hongbo Wang

  DOI：10.1016/j.ejmech.2024.116156

  日期：2024.3
• Non-Peptidic Inhibitors of AKAP/PKA Interaction
  申请人：Klussmann Enno

  公开号：US20090176773A1

  公开（公告）日：2009-07-09

  The invention relates to non-peptidic molecules which modulate, especially inhibit, the interaction of protein kinase A (PKA) and A kinase anchor proteins (AKAP) and to a host or target organism that comprises said non-peptidic compounds or recognition molecules directed to said compounds, such as e.g. antibodies or chelating agents. The invention also relates to a pharmaceutical agent, especially for use in the treatment of diseases that are associated with a disturbance of the cAMP signal path, especially insipid diabetes, hypertonia, pancreatic diabetes, duodenal ulcer, asthma, heart failure, obesity, AIDS, edema, hepatic cirrhosis, schizophrenia and others. The invention also relates to the use of the inventive molecules.
• 924. Reaction of some substituted methylthiomethyl-benzenes and -naphthalenes with methyl iodide
  作者：P. Mamalis

  DOI：10.1039/jr9600004747

  日期：——
• Cagniant,P. et al., Bulletin de la Societe Chimique de France, 1966, p. 236 - 240
  作者：Cagniant,P. et al.

  DOI：——

  日期：——