Trimethoxyphenyl-isocyanate | 1083430-04-9

• 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: Trimethoxyphenyl-isocyanate
• 英文别名: 1-isocyanato-2,3,4-trimethoxybenzene
• CAS: 1083430-04-9
• 化学式: C₁₀H₁₁NO₄
• 分子量: 209.202
• InChiKey: FNFSGNTUEYBHKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  57.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Trimethoxyphenyl-isocyanate 、 苯甲醇 以 苯 为溶剂， 生成 benzyl 2,3,4-trimethoxyphenylcarbamate
  参考文献：
  名称：

  Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory Activities

  摘要：

  An efficient method has been developed to synthesize casimiroin (1), a component of the edible fruit of Casimiroa edulis, on a multigram scale in good overall yield. The route was versatile enough to provide an array of compound 1 analogues that were evaluated as QR2 and aromatase inhibitors. In addition, X-ray crystallography studies of QR2 in complex with compound 1 and one of its more potent analogues has provided insight into the mechanism of action of this new series of QR2 inhibitors. The initial biological investigations suggest that compound 1 and its analogues merit further investigation as potential chemopreventive or chemotherapeutic agents.

  DOI：

  10.1021/jm801335z
• 作为产物：
  描述：

  2,3,4-三甲氧基苯甲酸 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 Trimethoxyphenyl-isocyanate
  参考文献：
  名称：

  Copper-catalyzed N H/S H functionalization: A strategy for the synthesis of benzothiadiazine derivatives

  摘要：

  A copper-mediated N-S bond-forming reaction via N-H/S-H activation is described. This reaction occurs under mild conditions with high efficiency, step economy, and tolerates a wide variety of functional groups, providing an efficient means of accessing biologically important 1,2,4-benzothiadiazin-3(4H)-ones. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2017.02.063

文献信息

• Kinase inhibitors
  申请人：Amgen Inc.

  公开号：US20040116388A1

  公开（公告）日：2004-06-17

  The invention relates to inhibitors of enzymes that bind to ATP or GTP and/or catalyze phosphoryl transfer, compositions comprising the inhibitors, and methods of using the inhibitors and inhibitor compositions. The inhibitors and compositions comprising them are useful for treating disease or disease symptoms. The invention also provides for methods of making phosphoryl transferase inhibitor compounds, methods of inhibiting phosphoryl transferase activity, and methods for treating disease or disease symptoms.

  这项发明涉及与ATP或GTP结合并/或催化磷酸转移的酶的抑制剂，包括这些抑制剂的组合物，以及使用这些抑制剂和抑制剂组合物的方法。这些抑制剂和包含它们的组合物对治疗疾病或疾病症状是有用的。该发明还提供了制备磷酸转移酶抑制剂化合物的方法，抑制磷酸转移酶活性的方法，以及治疗疾病或疾病症状的方法。
• 1,3-Disubstituted urea derivatives: Synthesis, antimicrobial activity evaluation and in silico studies
  作者：Miyase Gözde Gündüz、Sümeyye Buran Uğur、Funda Güney、Ceren Özkul、Vagolu Siva Krishna、Serdal Kaya、Dharmarajan Sriram、Şengül Dilem Doğan

  DOI：10.1016/j.bioorg.2020.104104

  日期：2020.9

  screening of disubstituted urea derivatives. In addition to the classical synthesis of urea compounds by the reaction of amines and isocyanates, we also applied a new route including bromination, oxidation and azidination reactions, respectively, to convert 2-amino-3-methylpyridine to 1,3-disubstituted urea derivatives using various amines. The evaluation of antimicrobial activities against various bacterial

  为了克服新兴的对传染性微生物病原体的耐药性，迫切需要开发新的抗微生物化合物。在本研究中，我们对双取代尿素衍生物进行了广泛的抗菌筛选。除了通过胺和异氰酸酯反应经典合成脲化合物外，我们还应用了一条新的途径，分别包括溴化，氧化和叠氮化反应，将2-氨基-3-甲基吡啶转化为1,3-二取代的尿素衍生物使用各种胺。评估对各种细菌菌株，白色念珠菌和结核分枝杆菌的抗菌活性导致发现了新的活性分子。其中，进一步评估了在铜绿假单胞菌上具有最低MIC值的两种化合物对生物膜形成的抑制能力。为了评估其潜在的生物膜抑制机制，将这两种化合物对接入LasR的活性位点，该位点是细菌信号传导机制的转录调控因子，称为群体感应。最后，计算生物活性分子的理论参数以建立其药物相似性。
• Substituted Imidazopyridazines as Lipid Kinase Inhibitors
  申请人：Capraro Hans-Georg

  公开号：US20100305113A1

  公开（公告）日：2010-12-02

  The invention relates to novel compounds of the formula I, as well as other invention embodiments related to these compounds. The compounds are e.g. useful in the treatment of the animal or human body in view of their ability to inhibit protein kinases such as especially PI3 kinase.

  本发明涉及公式I的新化合物，以及与这些化合物相关的其他发明实施方式。这些化合物可用于治疗动物或人体，因为它们能够抑制蛋白激酶，特别是PI3激酶。
• TETRAHYDROISOQUINOLINE COMPOUND
  申请人：Kowa Company, Ltd.

  公开号：EP2143714B1

  公开（公告）日：2013-06-05
• 4-AROYL-PIPERIDIN-CCR-3 RECEPTOR ANTAGONISTS III
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1131291B1

  公开（公告）日：2004-10-20