4-aminophenyl trifluoromethylsulfoxide | 708-67-8

• 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-aminophenyl trifluoromethylsulfoxide
• 英文别名: 4-Aminophenyltrifluoromethylsulfoxide；4-trifluoromethanesulfinyl-aniline；(4-Acetamino-phenyl)-trifluormethyl-sulfoxid；Trifluormethyl-(4-amino-phenyl)-sulfoxid；p-Aminophenyl-trifluormethyl-sulfoxid；Benzenamine, 4-[(trifluoromethyl)sulfinyl]-；4-(trifluoromethylsulfinyl)aniline
• CAS: 708-67-8
• 化学式: C₇H₆F₃NOS
• mdl: MFCD01009709
• 分子量: 209.192
• InChiKey: KVWKPVIFLYKWDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  62.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-aminophenyl trifluoromethylsulfoxide 在 硫酸 、 硝酸 作用下， 生成 Trifluormethyl-(4-anilino-3-nitro-phenyl)-sulfoxid
  参考文献：
  名称：

  Yagupolskii,L.M. et al., Journal of general chemistry of the USSR, 1965, vol. 35, p. 1645 - 1650

  摘要：

  DOI：
• 作为产物：
  描述：

  4,4'-二硝基二苯二硫醚 在 盐酸 、 disodium hydrogenphosphate 、 [bmim]BF₄ 、 三氯异氰尿酸 、 水 、 rongalite 、 铁粉 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 20.0~90.0 ℃ 、1.2 MPa 条件下， 反应 7.0h， 生成 4-aminophenyl trifluoromethylsulfoxide
  参考文献：
  名称：

  Selective oxidation and chlorination of trifluoromethylsulfide using trichloroisocyanuric acid in ionic liquid

  摘要：

  A route to chemoselective oxidation and chlorination of aryltrifluoromethylsulfide using trichloroisocyanuric acid (TCCA) in ionic liquid, an efficiently O-methylation reaction and a reduction of nitro- to amido- in excellent yields have been developed. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2007.02.018

文献信息

• [EN] BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1<br/>[FR] DÉRIVÉS DE BENZAMIDE POUR INHIBER L'ACTIVITÉ D'ABL1, D'ABL2 ET DE BCR-ABL2
  申请人：NOVARTIS AG

  公开号：WO2013171640A1

  公开（公告）日：2013-11-21

  The present invention relates to compounds of formula (I): in which Y, Y, R, R 2, R 3 and R 4 are defined in the Summary of the Invention; capable of inhibiting the activity of BCR-ABL1 and mutants thereof. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds in the treatment of cancers.

  本发明涉及式(I)的化合物：其中Y、Y、R、R 2、R 3和R 4在发明摘要中有定义；能够抑制BCR-ABL1及其突变体的活性。本发明还提供了一种制备本发明化合物的方法，包括含有这种化合物的药物制剂以及使用这种化合物治疗癌症的方法。
• [EN] 2-CYANO-3-CYCLOPROPYL-3-HYDROXY-N-ARYL-THIOACRYLAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS DE 2-CYANO-3-CYCLOPROPYL-3-HYDROXY-N-ARYL-THIOACRYLAMIDE
  申请人：ALGIAX PHARMACEUTICALS GMBH

  公开号：WO2015140081A1

  公开（公告）日：2015-09-24

  A compound of the formula (I) or a tautomeric isoform thereof wherein R1 is selected from the group consisting of halogen, nitro, lower alkyl sulfonyl, cyano, trifluromethyl lower alkyl, lower alkoxy, lower alkoxycarbonyl, carboxy, lower alkyl aminosulfonyl, perfluoro lower alkyl, lower alkylthio, hydroxy lower alkyl, alkoxy lower alkyl, lower alkylthio lower alkyl, lower alkylsulfinyl lower alkyl, lower alkylsulfonyl lower alkyl, lower alkylsulfinyl, lower alkanoyl, aroyl, aryl, aryloxy and R2 is selected from the group consisting of hydrogen, alkyl, alkoxy, alkylthio, and alkylcarbonyl, and their non-toxic, pharmaceutically acceptable base addition salts or pro-drugs thereof. The compounds of the invention are useful in the treatment of nervous system diseases and disorders, which are responsive to modulation of the GABAA receptor complex.

  该化合物的结构式（I）或其互变异构体，其中R1被选自卤素、硝基、较低烷基磺酰基、氰基、三氟甲基较低烷基、较低烷氧基、较低烷氧羰基、羧基、较低烷基氨基磺酰基、全氟较低烷基、较低烷基硫基、羟基较低烷基、烷氧基较低烷基、较低烷硫基较低烷基、较低烷基亚砜基较低烷基、较低烷基砜基较低烷基、较低烷基亚砜基、较低烷酰基、芳酰基、芳基、芳氧基以及R2被选自氢、烷基、烷氧基、烷硫基和烷羰基的群组，以及它们的非毒性、药学上可接受的碱加盐或前药。该发明的化合物在治疗对GABAA受体复合物调节敏感的神经系统疾病和障碍方面具有用处。
• Aryltrifluoromethylsulfoxides: Sulfinylation or Aromatics by Triflinate Salts in Acid Medium
  作者：Claude Wakselman、Marc Tordeux、Céline Freslon、Laurent Saint-Jalmes

  DOI：10.1055/s-2001-12316

  日期：——

  Direct sulfinylation reaction of simple aromatic compounds by triflinate salts in triflic acid led to aryltrifluoromethyl sulfoxides. The para isomer was the major one. The regioselectivity of the reaction was very high when the substituent on the aromatic ring was a halogen atom, a trifluoromethoxy group or an acetanilide function.

  简单芳香族化合物在三氟丙烯酸中与三氟甲磺酸盐发生直接亚磺酰化反应，生成芳基三氟甲基硫醚。主要是对位异构体。当芳香环上的取代基为卤素原子、三氟甲氧基或乙酰苯胺官能团时，反应的区域选择性非常高。
• COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1
  申请人：Furet Pascal

  公开号：US20150183801A1

  公开（公告）日：2015-07-02

  The present invention relates to compounds of formula (I): in which Y, Y, R, R 2, R 3 and R 4 are defined in the Summary of the Invention; capable of inhibiting the activity of BCR-ABL1 and mutants thereof. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds in the treatment of cancers.

  本发明涉及式(I)的化合物：其中Y，Y，R，R2，R3和R4在发明摘要中定义; 能够抑制BCR-ABL1及其突变体的活性。本发明还提供了一种制备本发明化合物的方法，包括这些化合物的制药制剂以及使用这些化合物治疗癌症的方法。
• Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1
  申请人：Furet Pascal

  公开号：US09278981B2

  公开（公告）日：2016-03-08

  The present invention relates to compounds of formula (I): in which Y, Y, R, R 2, R 3 and R 4 are defined in the Summary of the Invention; capable of inhibiting the activity of BCR-ABL1 and mutants thereof. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds in the treatment of cancers.

  本发明涉及公式(I)的化合物：其中Y，Y，R，R2，R3和R4在本发明摘要中定义；能够抑制BCR-ABL1及其突变体的活性。 本发明还提供了一种制备本发明化合物的方法，包括这些化合物的制药制剂以及使用这些化合物治疗癌症的方法。