1-(甲基磺酰基甲基)-3-(三氟甲基)苯 | 25195-49-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(甲基磺酰基甲基)-3-(三氟甲基)苯
• 中文别名: 3-三氟甲基苄基甲基砜
• 英文名称: Methyl-m-(trifluoromethyl) benzyl sulfone
• 英文别名: methyl(3-trifluoromethylbenzyl)sulfone；3-Trifluoromethylbenzylmethylsulfone；1-(methylsulfonylmethyl)-3-(trifluoromethyl)benzene
• CAS: 25195-49-7
• 化学式: C₉H₉F₃O₂S
• mdl: MFCD06798013
• 分子量: 238.23
• InChiKey: GSGHVVYVFJQASI-UHFFFAOYSA-N

物化性质

• 熔点：
  103-106°C
• 沸点：
  334.1±42.0 °C(Predicted)
• 密度：
  1.347±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-二苯甲基氮杂环丁烷-3-酮 、 1-(甲基磺酰基甲基)-3-(三氟甲基)苯 生成 1-benzhydryl-3-[(methylsulfonyl)(3-trifluoromethyl-phenyl)methyl-(RS)]azetidin-3-ol
  参考文献：
  名称：

  Azetidine derivatives, their preparation and medicaments containing them

  摘要：

  本发明涉及通式(1)的化合物，其中：R代表链(A)或(B)；R1是甲基或乙基；R2是可任选取代的芳香环或可任选取代的杂芳香环；R3和R4，相同或不同，是可任选取代的芳香环或可任选取代的杂芳香环；R′代表氢原子或—CO—烷基，它们的光学异构体，它们的盐，它们的制备方法以及含有它们的药物。

  公开号：

  US20020035102A1

文献信息

• [EN] PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS<br/>[FR] COMPOSES PEPTIDIQUES EN TANT QU'INHIBITEURS DE LA PROTEASE A CYSTEINE
  申请人：AXYS PHARM INC

  公开号：WO2004000838A1

  公开（公告）日：2003-12-31

  The present invention is directed to compounds that are inhibitors of cysteine proteases, in particular, cathepsins B, K, L, F, and S and are therefore useful in treating diseases mediated by these proteases. The present invention is directed to pharmaceutical compositions comprising these compounds and processes for preparing them.

  本发明涉及一种抑制半胱氨酸蛋白酶的化合物，特别是卡特普辛B、K、L、F和S，因此在治疗由这些蛋白酶介导的疾病方面具有用途。本发明涉及包含这些化合物的药物组合物以及制备它们的方法。
• 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use
  申请人：——

  公开号：US20030229068A1

  公开（公告）日：2003-12-11

  Selected compounds are effective for treatment of diseases, such as cell proliferation or apoptosis mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable derivatives thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving stroke, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  选定的化合物对于治疗疾病，如细胞增殖或凋亡介导的疾病，具有有效性。该发明涵盖了新颖的化合物、类似物、前药和其药学上可接受的衍生物，药物组合物以及预防和治疗涉及中风、癌症等疾病和其他疾病或病症的方法。该发明还涉及制备这些化合物的方法，以及在这些方法中有用的中间体。
• USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS
  申请人：BAYER CROPSCIENCE AKTIENGESELLSCHAFT

  公开号：US20170027172A1

  公开（公告）日：2017-02-02

  The invention relates to the use of substituted oxotetrahydroquinolinylsulfonamides or salts thereof where the radicals in the general formula (I) correspond to the definitions given in the description, for enhancing stress tolerance in plants to abiotic stress, and/or for increasing plant yield.

  该发明涉及使用取代的氧代四氢喹啉磺酰胺或其盐，其中一般式(I)中的基团对应于描述中给定的定义，用于增强植物对非生物胁迫的耐受性，和/或增加植物产量。
• [EN] AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS<br/>[FR] COMPOSES AMIDINO SERVANT D'INHIBITEURS DE PROTEASES A CYSTEINE
  申请人：AXYS PHARMACEUTICALS

  公开号：WO2004108661A1

  公开（公告）日：2004-12-16

  The present invention is directed to compounds that are inhibitors of cysteine proteases, in particular, cathepsins B, K, L, F, and S and are therefore useful in treating diseases mediated by these proteases. The present invention is directed to pharmaceutical compositions comprising these compounds and processes for preparing them.

  本发明涉及一种抑制半胱氨酸蛋白酶的化合物，特别是包括B、K、L、F和S半胱氨酸蛋白酶，因此在治疗由这些蛋白酶介导的疾病方面具有用处。本发明涉及包含这些化合物的药物组合物以及其制备方法。
• [EN] HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS<br/>[FR] COMPOSES CONTENANT UN HALOALKYLE UTILISE COMME INHIBITEURS DE CYSTEINE PROTEASE
  申请人：AXYS PHARM INC

  公开号：WO2005028454A1

  公开（公告）日：2005-03-31

  The application is directed to haloalkyl-substituted compounds of Formula (I), wherein R1, R1a, R2, R3, R4’ and E are as defined in the claims. The compounds are inhibitors of cysteine proteases, in particular, cathepsins B, K, L, F, and S and are therefore useful in treating diseases mediated by these proteases. Pharmaceutical compositions comprising these compounds and their use are also disclosed.

  该应用程序针对式(I)的卤代烷基取代化合物，其中R1、R1a、R2、R3、R4'和E如索权中所定义。这些化合物是半胱氨酸蛋白酶的抑制剂，特别是卡托普斯蛋白酶B、K、L、F和S，因此可用于治疗由这些蛋白酶介导的疾病。还公开了包含这些化合物的药物组合物及其用途。