4-溴-2-三氟甲氧基苯基异硫氰酸 | 238742-91-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-溴-2-三氟甲氧基苯基异硫氰酸
• 中文别名: 4-溴-2-三氟甲氧基苯基 异硫氰酸
• 英文名称: 4-Bromo-1-isothiocyanato-2-(trifluoromethoxy)benzene
• CAS: 238742-91-1
• 化学式: C₈H₃BrF₃NOS
• 分子量: 298.08
• InChiKey: VXHDHMUZXWITDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  53.7
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险品标志：
  T
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  11-aminoazonafide 、 4-溴-2-三氟甲氧基苯基异硫氰酸 以 乙腈 为溶剂， 反应 16.0h， 以356 mg of the desired product (formula shown hereinabove) were isolated as a red powder (yield=94%) which的产率得到1-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}-3-[2-trifluoromethoxy4-bromophenyl]thiourea
  参考文献：
  名称：

  Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom

  摘要：

  Azonafide衍生物是通过将azonafide与醛类、酰卤、硫酰卤、单异氰酸酯、异硫氰酸酯、磺酰卤、单卤代烷烃、单卤代烯烃或单卤代炔烃反应得到的，并且它们可用作制药组合物的活性成分，用于预防和治疗细胞增殖性疾病，特别是几种癌症。

  公开号：

  US20080292585A1

文献信息

• Substituted benzazoles and methods of their use as inhibitors of Raf kinase
  申请人：——

  公开号：US20040122237A1

  公开（公告）日：2004-06-24

  New substituted benz-azole compounds, compositions and methods of inhibition of Raf kinase activity in a human or animal subject are provided. The new compounds compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.

  提供了新的替代苯唑化合物、组合物和抑制人类或动物主体中Raf激酶活性的方法。这些新化合物组合物可以单独使用，也可以与至少一种额外药物结合，用于治疗由Raf激酶介导的疾病，如癌症。
• Substituted benz-azoles and methods of their use as inhibitors of Raf kinase
  申请人：——

  公开号：US20040087626A1

  公开（公告）日：2004-05-06

  New substituted benz-azole compounds, compositions and methods of inhibition of Raf kinase activity in a human or animal subject are provided. The new compounds compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.

  提供了新的取代苯并咪唑化合物、组合物和抑制人类或动物主体中Raf激酶活性的方法。这些新的化合物组合物可以单独使用或与至少一种其他药物联合使用，用于治疗Raf激酶介导的疾病，如癌症。
• Thioureas as factor Xa inhibitors
  申请人：Song Yonghong

  公开号：US20060160790A1

  公开（公告）日：2006-07-20

  The present invention is directed to compounds represented by Formula I and pharmaceutically acceptable salts, solvates, hydrates, and prodrugs thereof which are inhibitors of Factor Xa. The present invention is also directed to and intermediates used in making such compounds, pharmaceutical compositions containing such compounds, methods to prevent or treat a number of conditions characterized by undesired thrombosis and methods of inhibiting the coagulation of a blood sample.

  本发明涉及由公式I表示的化合物及其药学上可接受的盐、溶剂化合物、水合物和前药，这些化合物是Xa因子的抑制剂。本发明还涉及用于制备这些化合物的中间体，含有这些化合物的制药组合物，预防或治疗由不良血栓形成所表征的多种疾病的方法以及抑制血样的凝血方法。
• Azonafide derivatives, methods for their production and pharmaceutical compositions therefrom
  申请人：Unibioscreen S.A.

  公开号：US07741337B2

  公开（公告）日：2010-06-22

  The present invention is directed to azonafide derivatives obtained by reacting azonafide with aldehydes, acyl halides, thioacyl halides, monoisocyanates, isothiocyanates, sulfonyl halides, monohalogenoalkanes, monohalogenoalkenes or monohalogenoalkynes, and are useful as active ingredients of pharmaceutical compositions for the prevention and treatment of cell proliferative disorders, in particular several forms of cancer.

  本发明涉及通过将azonafide与醛类、酰卤、硫酰卤、单异氰酸酯、异硫氰酸酯、磺酰卤、单卤代烷、单卤代烯或单卤代炔反应得到的azonafide衍生物，并且这些衍生物可用作制备药物组合物的活性成分，用于预防和治疗细胞增殖性疾病，特别是多种癌症形式。
• SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE
  申请人：Amiri Payman

  公开号：US20100196368A1

  公开（公告）日：2010-08-05

  New substituted benz-azole compounds, compositions and methods of inhibition of Raf kinase activity in a human or animal subject are provided. The new compounds compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.

  本发明提供了新的取代苯并唑化合物、组合物和抑制人类或动物主体中Raf激酶活性的方法。新的化合物组成物可以单独使用或与至少一种其他药物联合使用，用于治疗Raf激酶介导的疾病，如癌症。