4-(3-cyanophenoxy)aniline | 305801-18-7

• 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: 4-(3-cyanophenoxy)aniline
• 英文别名: 3-(4-aminophenoxy)benzonitrile
• CAS: 305801-18-7
• 化学式: C₁₃H₁₀N₂O
• mdl: MFCD11133080
• 分子量: 210.235
• InChiKey: VIAKQBRLRUIQHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3-cyanophenoxy)aniline 在 三乙胺 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 生成
  参考文献：
  名称：

  10.1002/ddr.22224

  摘要：

  AbstractThe mammalian cytoplasmic protein SIRT2, a class III histone deacetylase family member, possesses NAD+‐dependent lysine deacetylase/deacylase activity. Dysregulation of SIRT2 has been implicated in the pathogenesis of several diseases, including neurological and metabolic disorders and cancer; thus, SIRT2 emerges as a potential therapeutic target. Herein, we identified a series of diaryl acetamides (ST61‐ST90) by the structural optimization of our hit STH2, followed by enhanced SIRT2 inhibitory potency and selectivity. Among them, ST72, ST85, and ST88 selectively inhibited SIRT2 with IC50 values of 9.97, 5.74, and 8.92 μM, respectively. Finally, the entire study was accompanied by in silico prediction of binding modes of docked compounds and the stability of SIRT2‐ligand complexes. We hope our findings will provide substantial information for designing selective inhibitors of SIRT2.

  DOI：

  10.1002/ddr.22224
• 作为产物：
  描述：

  3-氰基苯酚 在 palladium 10% on activated carbon 氢气 、 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 、 乙醇 、 乙酸乙酯 为溶剂， 反应 1.5h， 生成 4-(3-cyanophenoxy)aniline
  参考文献：
  名称：

  [EN] 3,4-DISUBSTITUTED MALEIMIDES FOR USE AS VASCULAR DAMAGING AGENTS
  [FR] MALEIMIDES 3,4-DISUBSTITUES UTILISES EN TANT QU'AGENTS DE DEGRADATION VASCULAIRE

  摘要：

  本发明涉及用作血管损伤剂的新化合物的公式（I）：公式（I）其中Rl、R7、R8、R9、ARI、AR2、AR3、p、q和r如规范中所述。该发明还涉及制备公式（I）化合物的方法，它们作为药物的用途（包括用于治疗血管生成或与血管生成相关的疾病状态的方法）以及含有公式（I）化合物的药物组合物。

  公开号：

  WO2005102997A1

文献信息

• [EN] BICYCLIC COMPOUNDS AS KINASES INHIBITORS<br/>[FR] COMPOSÉS BICYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS DES KINASES
  申请人：ZHANG DAWEI

  公开号：WO2013173254A1

  公开（公告）日：2013-11-21

  The present invention is directed to novel bicyclic compounds, their derivatives, pharmaceutically acceptable salts, solvates and hydrates thereof. The compounds and compositions of the present invention have protein kinases inhibitory activities and are useful for the treatment of protein kinases mediated diseases and conditions. Novel bicyclic compounds disclosed herein include quinazolines and quinolines.

  本发明涉及新颖的双环化合物，它们的衍生物，药用可接受的盐，溶剂和水合物。本发明的化合物和组合物具有蛋白激酶抑制活性，并可用于治疗蛋白激酶介导的疾病和症状。本文披露的新颖双环化合物包括喹唑啉和喹啉。
• [EN] SORAFENIB ANALOGS AND USES THEREOF<br/>[FR] ANALOGUES DE SORAFENIB ET LEURS UTILISATIONS
  申请人：UNIV COLUMBIA

  公开号：WO2015051149A1

  公开（公告）日：2015-04-09

  The present invention provides, inter alia, compounds according to formula I. Also provided are pharmaceutical compositions and kits containing such compounds. Methods for using such compounds, compositions, and kits for treating a subject having system xc-, dysregulation for activating ferroptosis, for inhibiting system xc- in a cell, and for monitoring treatment of a subject having system xc- dysregulation are provided as well.

  本发明提供了根据式I的化合物，还提供了含有这种化合物的药物组合物和试剂盒。还提供了使用这种化合物、组合物和试剂盒治疗具有系统xc-失调以激活铁死亡、在细胞中抑制系统xc-以及监测具有系统xc-失调的受试者治疗的方法。
• TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION HAVING AN ANALGESIC ACTIVITY COMPRISING THE SAME
  申请人：Kai Hiroyuki

  公开号：US20130172317A1

  公开（公告）日：2013-07-04

  The present invention provides novel compounds having a P2X 3 and/or P2X 2/3 receptor antagonistic effect. A pharmaceutical composition having an analgesic effect or an improving effect of urination disorder comprising a compound of the formula (I): wherein R h and R j are taken together to form a bond; R a and R b and/or R d and R e are taken together to form oxo or the like; R c is hydrogen, substituted or unsubstituted alkyl or the like; R f is —(CR 4a R 4b ) n —R 2 ; R 4a and R 4b are hydrogen, substituted or unsubstituted alkyl or the like; R 2 is substituted or unsubstituted cycloalkyl or the like; n is an integer of 1 to 4; —R g is —X—R 3 ; —X— is —O—, —S— or the like; R 3 is substituted or unsubstituted cycloalkyl or the like, or its pharmaceutically acceptable salt or a solvate thereof.

  本发明提供了具有P2X3和/或P2X2/3受体拮抗作用的新型化合物。一种具有镇痛作用或改善排尿障碍作用的药物组合物，包括式（I）的化合物：其中Rh和Rj结合形成键；Ra和Rb和/或Rd和Re结合形成氧化物或类似物；Rc是氢、取代或未取代的烷基或类似物；Rf是-(CR4aR4b)n-R2；R4a和R4b是氢、取代或未取代的烷基或类似物；R2是取代或未取代的环烷基或类似物；n是1到4的整数；-R是-X-R3；-X-是-O-、-S-或类似物；R3是取代或未取代的环烷基或类似物，或其药学上可接受的盐或其溶剂化物。
• BICYCLIC COMPOUNDS AS KINASES INHIBITORS
  申请人：HangzhouDeRenYuCheng Biotechnology Ltd

  公开号：US20150126537A1

  公开（公告）日：2015-05-07

  The present invention is directed to novel bicyclic compounds, their derivatives, pharmaceutically acceptable salts, solvates and hydrates thereof. The compounds and compositions of the present invention have protein kinases inhibitory activities and are useful for the treatment of protein kinases mediated diseases and conditions. Novel bicyclic compounds disclosed herein include quinazolines and quinolines.

  本发明涉及新型双环化合物及其衍生物、药学上可接受的盐、溶剂和水合物。本发明的化合物和组合物具有蛋白激酶抑制活性，并可用于治疗蛋白激酶介导的疾病和状况。本文所披露的新型双环化合物包括喹唑啉和喹啉。
• TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：EP2604595A1

  公开（公告）日：2013-06-19

  The present invention provides novel compounds having a P2X3 and/or P2X2/3 receptor antagonistic effect. A pharmaceutical composition having an analgesic effect or an improving effect of urination disorder comprising a compound of the formula (I): wherein Rh and Rj are taken together to form a bond; Ra and Rb and/or Rd and Re are taken together to form oxo or the like; Rc is hydrogen, substituted or unsubstituted alkyl or the like; Rf is -(CR4aR4b)n-R2; R4a and R4b are hydrogen, substituted or unsubstituted alkyl or the like; R2 is substituted or unsubstituted cycloalkyl or the like; n is an integer of 1 to 4; -Rg is -X-R3; -X- is -O-, -S- or the like; R3 is substituted or unsubstituted cycloalkyl or the like, or its pharmaceutically acceptable salt or a solvate thereof.

  本发明提供了具有 P2X3 和/或 P2X2/3 受体拮抗作用的新型化合物。 一种具有镇痛效果或改善排尿障碍效果的药物组合物，由式（I）化合物组成： 其中 Rh 和 Rj 共同形成键；Ra 和 Rb 和/或 Rd 和 Re 共同形成氧代或类似物；Rc 是氢、取代或未取代的烷基或类似物； Rf是-(CR4aR4b)n-R2；R4a和R4b是氢、取代或未取代的烷基或类似物；R2是取代或未取代的环烷基或类似物；n是1至4的整数；-Rg是-X-R3；-X-是-O-、-S-或类似物；R3是取代或未取代的环烷基或类似物、 或其药学上可接受的盐或其溶液。