1-(tert-butyl)-3-(3-(trifluoromethyl)phenyl)urea

• 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: 1-(tert-butyl)-3-(3-(trifluoromethyl)phenyl)urea
• 英文别名: 1-Tert-butyl-3-(3-trifluoromethyl-phenyl)-urea；1-tert-butyl-3-[3-(trifluoromethyl)phenyl]urea
• 化学式: C₁₂H₁₅F₃N₂O
• mdl: MFCD00157956
• 分子量: 260.259
• InChiKey: ZKSHCOXJNZVCJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  间溴三氟甲苯 、 sodium isocyanate 、 叔丁胺 在 氯化镍二甲氧基乙烷 、 [Ir(dF(CF₃)ppy)₂(dtbbpy)](PF₆) 作用下， 以 二甲基亚砜 为溶剂， 以93 %的产率得到1-(tert-butyl)-3-(3-(trifluoromethyl)phenyl)urea
  参考文献：
  名称：

  用于实际合成尿素和氨基甲酸酯的金属光氧化还原催化三组分偶联†

  摘要：

  脲由于具有二酰胺结构，可形成强氢键，广泛应用于药物、材料和催化剂。因此，开发高效、绿色的尿素化合物特别是不对称尿素的合成方法具有重要的科学意义。在这里，我们公开了通过镍/光氧化还原双重催化实现有机卤化物、氰酸钠和胺的新型高效三组分偶联反应，用于制备不对称脲。该反应具有操作简单安全、底物范围广、产物多样性等特点。它允许在温和条件下从容易获得、用户友好的原料中轻松合成N-芳基/乙烯基脲（27 个示例，产率 36%—98%）。此外，该方法进一步衍生以醇为亲核试剂，合成一系列氨基甲酸酯（实例15个，收率40%—95%）。机理实验表明，卤化物与氰酸钠偶联生成的异氰酸酯可能是该反应的关键中间体。

  DOI：

  10.1002/cjoc.202300500

文献信息

• AN ADENOSINE MONOPHOSPHATE-ACTIVATED PROTEIN KINASE AGONIST
  申请人：Farmar Licensing Co., Ltd.

  公开号：US20190194142A1

  公开（公告）日：2019-06-27

  The present invention discloses a compound of the formula (I), which acts as an agonist of adenosine monophosphate-activated protein kinase, which induce phosphorylation and activation of AMPKα, thereby further regulating downstream signaling pathways, inhibiting growth and proliferation of liver cancer cells and breast cancer cells, and also inducing apoptosis of adipocytes. Therefore, the compound provided by the present invention can be utilised for treatment and preparation of pharmaceutical composition for cancer, and lipid metabolism-related diseases or syndromes mediated by AMPK.

  本发明公开了一种化合物(I)的公式，该化合物作为腺苷单磷酸激活蛋白激酶的激动剂，诱导AMPKα的磷酸化和激活，从而进一步调节下游信号通路，抑制肝癌细胞和乳腺癌细胞的生长和增殖，并诱导脂肪细胞凋亡。因此，本发明提供的化合物可用于癌症的治疗和制备药物组合物，以及由AMPK介导的脂质代谢相关疾病或综合征。
• Disaccharides for drug discovery
  申请人：Meutermans Wim

  公开号：US20110201794A1

  公开（公告）日：2011-08-18

  Methods are described for the preparation of combinatorial libraries of potentially biologically active disaccharide compounds. These compounds are variously functionalized, with a view to varying lipid solubility size, function an other properties, with the particular aim of discovering novel drug or drug-like compounds, or compounds with useful properties. The invention provides intermediates, processes and synthetic strategies for the solution or solid phase synthesis of disaccharides, variously functionalized about the sugar ring, including the addition of aromaticity and charge, and the placement of pharmaceutically useful groups and isosteres.

  本发明描述了制备可能具有生物活性的二糖化合物组合库的方法。这些化合物具有不同的官能团，旨在改变脂溶性，大小，功能和其他性质，特别是发现新型药物或类似药物的化合物，或具有有用性质的化合物。本发明提供了中间体、过程和合成策略，用于解决或固相合成不同官能团的二糖，包括芳香性和电荷的添加，以及药用有用基团和同分异构体的放置。
• Benzofuran Compounds
  申请人：Johansson Gary

  公开号：US20110015185A1

  公开（公告）日：2011-01-20

  The present invention relates to compounds of formula (I): wherein P, R 3 , W 1 , and W 2 are as described herein, to pharmaceutical compositions comprising the compounds, to processes for their preparation, as well as to the use of the compounds for the preparation of a medicament against 5-HT 6 receptor-related disorders.

  本发明涉及公式（I）的化合物：其中P，R3，W1和W2如本文所述，以及包含该化合物的制药组合物，其制备过程，以及该化合物用于制备针对5-HT6受体相关疾病的药物的用途。
• Adenosine monophosphate-activated protein kinase agonist
  申请人：NATIONAL YANG-MING UNIVERSITY

  公开号：US10793527B2

  公开（公告）日：2020-10-06

  The present invention discloses a compound of the formula (I), which acts as an agonist of adenosine monophosphate-activated protein kinase, which induce phosphorylation and activation of AMPKα, thereby further regulating downstream signaling pathways, inhibiting growth and proliferation of liver cancer cells and breast cancer cells, and also inducing apoptosis of adipocytes. Therefore, the compound provided by the present invention can be utilised for treatment and preparation of pharmaceutical composition for cancer, and lipid metabolism-related diseases or syndromes mediated by AMPK.

  本发明公开了一种式（I）化合物，它作为单磷酸腺苷激活蛋白激酶的激动剂，可诱导AMPKα磷酸化和活化，从而进一步调节下游信号通路，抑制肝癌细胞和乳腺癌细胞的生长和增殖，还可诱导脂肪细胞凋亡。因此，本发明提供的化合物可用于治疗和制备 AMPK 介导的癌症和脂质代谢相关疾病或综合征的药物组合物。
• COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION
  申请人：Optikira LLC

  公开号：US20200354367A1

  公开（公告）日：2020-11-12

  The present invention provides novel compounds, compositions and methods for treating or preventing an IRE1α-related disease or disorder. In certain embodiments, the disease or disorder is selected from the group consisting of a neurodegenerative disease, a demyelinating disease, cancer, an eye disease, a fibrotic disease, and diabetes.