1-isocyanato-3-methyl-5-(trifluoromethyl)benzene | 942271-58-1

• 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-isocyanato-3-methyl-5-(trifluoromethyl)benzene
• 英文别名: 3-methyl-5-trifluoromethylphenyl isocyanate；Benzene, 1-isocyanato-3-methyl-5-(trifluoromethyl)-
• CAS: 942271-58-1
• 化学式: C₉H₆F₃NO
• 分子量: 201.148
• InChiKey: NTAIIPPACIMOMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-(4-tert-butylcyclohexylaminomethyl)benzoate 、 1-isocyanato-3-methyl-5-(trifluoromethyl)benzene 以 二氯甲烷 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Novel Glucagon Receptor Antagonists with Improved Selectivity over the Glucose-Dependent Insulinotropic Polypeptide Receptor

  摘要：

  Optimization of a new series of small molecule human glucagon receptor (hGluR) antagonists is described. In the process of optimizing glucagon receptor antagonists, we counter-screened against the closeli related human gastric inhibitory polypeptide receptor (hGIPR), and through structure activity analysis, we obtained compounds with low nanomolar affinities toward the hGluR, which were selective against the hGIPR and the human glucagon-like peptide-1 receptor (hGLP-1R). In the best cases, we obtained a >50 fold selectivity for the hGluR over the hGIPR and a > 1000 fold selectivity over the hGLP-1R. A potent and selective glucagon receptor antagonist was demonstrated to inhibit glucagon-induced glycogenolysis in primary rat hepatocytes as well as to lower glucagon-induced hyperolycemia in Sprague-Dawley rats. Furthermore. the compound was shown to lower blood glucose in the ob/ob mouse after oral dosing.

  DOI：

  10.1021/jm7015599
• 作为产物：
  描述：

  三光气 、 3-氨基-5-甲基三氟甲苯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-isocyanato-3-methyl-5-(trifluoromethyl)benzene
  参考文献：
  名称：

  [EN] COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE
  [FR] COMPOSÉS CONTENANT UNE FRACTION HYDROXYPHÉNYLE ET LEUR UTILISATION

  摘要：

  The inventors have succeeded in developing urea, oxalamide, amide, thiourea, carbamate or ester compounds, in particular urea compounds, bearing two side groups, one of which carries a hydroxyphenyl or phenyl moiety, in particular a hydroxyphenyl moiety. These compounds have the advantage of inhibiting IRE1 RNase activity and sensitizing cancer cells, in particular GB cells, to chemotherapy. The present invention relates to urea, oxalamide, amide, thiourea, carbamate or ester compounds, in particular urea compounds containing a hydroxyphenyl or phenyl moiety, in particular a hydroxyphenyl moiety, including their pharmaceutically acceptable salts and solvates which are useful as sensitizers for chemotherapy of cancer cells, particularly in glioblastoma, and are useful as therapeutic compounds, particularly in the treatment of cancers that may be treated by alkylating agents, such as temozolomide.

  公开号：

  WO2023131677A1

文献信息

• ASYMMETRIC CATALYSTS
  申请人：Canary James

  公开号：US20150112066A1

  公开（公告）日：2015-04-23

  The present invention relates to asymmetric catalysts, including redox-reconfigurable asymmetric catalysts. Methods of producing compounds having one or more stereocenters using the asymmetric catalysts of the present invention are also disclosed.

  本发明涉及不对称催化剂，包括氧化还原可重构的不对称催化剂。还公开了利用本发明的不对称催化剂制备具有一个或多个立体中心的化合物的方法。
• Acyl Piperidine Inhibitors of Soluble Epoxide Hydrolase
  申请人：The Regents of the University of California

  公开号：US20150011586A1

  公开（公告）日：2015-01-08

  Inhibitors of the soluble epoxide hydrolase (sEH) are provided that incorporate multiple pharmacophores and are useful in the treatment of diseases. In some embodiments, the present invention provides a method for monitoring the activity of a soluble epoxide hydrolase, the method including contacting the soluble epoxide hydrolase with an amount of a compound of the present invention sufficient to produce a detectable change in the fluorescence of the soluble epoxide hydrolase by interacting with one or more tryptophan residues present in the catalytic site of said sEH.

  本发明提供了可用于治疗疾病的多重药效团结合的可溶性环氧酶水解酶（sEH）抑制剂。在某些实施例中，本发明提供了一种监测可溶性环氧酶水解酶活性的方法，该方法包括将可溶性环氧酶水解酶与本发明化合物的足量接触，以产生与位于所述sEH催化位点中的一个或多个色氨酸残基相互作用而导致可检测荧光变化的方法。
• US9034903B2
  申请人：——

  公开号：US9034903B2

  公开（公告）日：2015-05-19
• US9221744B2
  申请人：——

  公开号：US9221744B2

  公开（公告）日：2015-12-29