methyl o-methoxycarbonylphenyldithiocarbonate | 106511-80-2

• 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: methyl o-methoxycarbonylphenyldithiocarbonate
• 英文别名: Methyl 2-(methylsulfanylcarbothioylamino)benzoate
• CAS: 106511-80-2
• 化学式: C₁₀H₁₁NO₂S₂
• 分子量: 241.335
• InChiKey: YVWWQPGMTYKZIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  95.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl o-methoxycarbonylphenyldithiocarbonate 在 一水合肼 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 生成 2-Butylamino-1-thia-3,3a,9-triaza-cyclopenta[b]naphthalen-4-one
  参考文献：
  名称：

  Pathak, U. S.; Devani, M. B.; Shishoo, C. J., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 489 - 491

  摘要：

  DOI：
• 作为产物：
  描述：

  邻氨基苯甲酸甲酯 在 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 3.5h， 生成 methyl o-methoxycarbonylphenyldithiocarbonate
  参考文献：
  名称：

  Alagarsamy; Meena; Vijayakumar, Pharmazie, 2003, vol. 58, # 4, p. 233 - 236

  摘要：

  DOI：

文献信息

• Synthesis, Analgesic, Anti-inflammatory and Antibacterial Activities of some Novel 2-Methylthio-3-Substituted Quinazolin-4-(3H)-ones
  作者：Veerachamy Alagarsamy、Ramadoss Rajesh、Meena Ramaseshu、Sukumaran Vijaykumar、Kona Venkat Ramseshu、Thirumoorthy Duraianandakumar

  DOI：10.1248/bpb.27.652

  日期：——

  variety of novel 2-methylthio-3-substituted quinazolin-4-(3H)-ones have been synthesized by reacting (2-methylthio-4-oxo-3H-quinazolin-3-yl)dithiocarbamic acid methyl ester with a variety of amines, the starting material dithiocarbamate was synthesized from methylanthranilate. The title compounds were investigated for analgesic, anti-inflammatory and antibacterial activities. While the test compounds exhibited

  通过使（2-甲硫基-4-氧代-3H-喹唑啉-3-基）二硫代氨基甲酸甲酯与多种二甲基氨基甲酸酯反应合成了多种新颖的2-甲硫基-3-取代的喹唑啉-4-（3H）-。胺，从二邻氨基苯甲酸甲酯合成起始原料二硫代氨基甲酸酯。研究了标题化合物的镇痛，抗炎和抗菌活性。尽管受试化合物显示出显着的活性，但化合物A1，A2，A3和A4的镇痛活性更高，而化合物A4的抗炎活性比参考双氯芬酸钠更高。
• Synthesis, Analgesic and Anti-inflammatory Activities of Some Novel 2,3-Disubstituted Quinazolin-4(3H)-ones.
  作者：Veerachamy Alagarsamy、Veluchamy Muthukumar、Nagendran Pavalarani、Poongavanam Vasanthanathan、Rajappan Revathi

  DOI：10.1248/bpb.26.557

  日期：——

  A series of novel 2-benzylamino-3-substituted quinazolin-4(3H)-ones have been synthesized by treating 3-amino-2-benzylamino quinazolin-4(3H)-one, with different aldehydes and ketones. The starting material 3-amino-2-benzylamino quinazolin-4(3H)-one was synthesized by nucleophilic substitution of thiomethyl group of 3-amino-2-methylthio quinazolin-4(3H)-one by benzylamine. The title compounds were investigated for analgesic and anti-inflammatory activities. All the test compounds exhibited significant analgesic activity, whereas the compound III is equipotent with diclofenac sodium. The compounds I, II and III showed more potent anti-inflammatory activity than diclofenac sodium.

  通过用不同的醛和酮处理3-氨基-2-苄氨基喹唑啉-4(3H)-酮，合成了一系列新型2-苄氨基-3-取代的喹唑啉-4(3H)-酮。以3-氨基-2-甲硫基喹唑啉-4(3H)-酮的硫甲基被苄胺亲核取代，合成了起始原料3-氨基-2-苄氨基喹唑啉-4(3H)-酮。研究了标题化合物的镇痛和抗炎活性。所有测试化合物均表现出显着的镇痛活性，而化合物III与双氯芬酸钠等效。化合物I、II和III显示出比双氯芬酸钠更有效的抗炎活性。
• Development of thieno- and benzopyrimidinone inhibitors of the Hedgehog signaling pathway reveals PDE4-dependent and PDE4-independent mechanisms of action
  作者：Jonathan E. Hempel、Adrian G. Cadar、Charles C. Hong

  DOI：10.1016/j.bmcl.2016.03.013

  日期：2016.4

  From a high content in vivo screen for modulators of developmental patterning in embryonic zebrafish, we previously identified eggmanone (EGM1, 3) as a Hedgehog (Hh) signaling inhibitor functioning downstream of Smoothened. Phenotypic optimization studies for in vitro probe development utilizing a Gli transcription-linked stable luciferase reporter cell line identified EGM1 analogs with improved potency and aqueous solubility. Mechanistic profiling of optimized analogs indicated two distinct scaffold clusters: PDE4 inhibitors able to inhibit downstream of Sufu, and PDE4-independent Hh inhibitors functioning between Smo and Sufu. Each class represents valuable in vitro probes for elucidating the complex mechanisms of Hh regulation. Published by Elsevier Ltd.
• Alagarsamy; Meena; Vijayakumar, Pharmazie, 2003, vol. 58, # 4, p. 233 - 236
  作者：Alagarsamy、Meena、Vijayakumar、Ramseshu、Revathi

  DOI：——

  日期：——
• PATHAK U. S.; DEVANI M. B.; SHISHOO C. J.; KULKARNI R. R.; RAKHOLIA V. M.+, INDIAN J. CHEM., 25,(1986) N 5, 489-491
  作者：PATHAK U. S.、 DEVANI M. B.、 SHISHOO C. J.、 KULKARNI R. R.、 RAKHOLIA V. M.+

  DOI：——

  日期：——