1-(4-溴苯基)-1-羟基脲 | 34816-61-0

• 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-(4-溴苯基)-1-羟基脲
• 英文名称: 1-(4-bromo-phenyl)-1-hydroxy-urea
• 英文别名: 1-(4-Bromophenyl)-1-hydroxyurea
• CAS: 34816-61-0
• 化学式: C₇H₇BrN₂O₂
• 分子量: 231.049
• InChiKey: CMTPNTCPHZETRC-UHFFFAOYSA-N

物化性质

• 熔点：
  134-135 °C
• 沸点：
  392.8±44.0 °C(Predicted)
• 密度：
  1.842±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-溴苯基)-1-羟基脲 以80%的产率得到
  参考文献：
  名称：

  VSEVOLOZHSKAYA N. B.; BASKAKOV YU. A.; STREBULAEVA A. I., V SB. XZHM. SREDSTVA ZASHCHITY PACT., VYP. 5, M., 1975, 69-75

  摘要：

  DOI：
• 作为产物：
  描述：

  N-(4-bromophenyl)hydroxylamine 以81%的产率得到
  参考文献：
  名称：

  VSEVOLOZHSKAYA N. B.; BASKAKOV YU. A.; STREBULAEVA A. I., V SB. XZHM. SREDSTVA ZASHCHITY PACT., VYP. 5, M., 1975, 69-75

  摘要：

  DOI：

文献信息

• Novel Biphenyl Compounds And Their Use
  申请人：Chaudhari M. Amita

  公开号：US20070265345A1

  公开（公告）日：2007-11-15

  The invention is directed to certain biphenyl compounds. Specifically, the invention is directed to compounds according to Formula I: wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, and Y are as defined below, and to pharmaceutically-acceptable salts thereof. The compounds of the invention are KSP inhibitors, particularly human KSP inhibitors, and can be useful for the treatment for a variety of diseases and conditions, such as cancer, hyperplasias, restenosis, cardiac hypertrophy, immune disorders, fungal disorders, and inflammation. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting KSP and treatment of conditions associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention. In an additional aspect, the invention provides methods of screening for compounds that will bind to a KSP kinesin, for example compounds that will displace or compete with the binding of the compounds of the invention. The methods comprise combining a labeled compound of the invention, a KSP kinesin, and at least one candidate agent and determining the binding of the candidate bioactive agent to the KSP kinesin. In a further aspect, the invention provides methods of screening for modulators of KSP kinesin activity. The methods comprise combining a compound of the invention, a KSP kinesin, and at least one candidate agent and determining the effect of the candidate bioactive agent on the KSP kinesin activity.

  本发明涉及某些联苯化合物。具体而言，本发明涉及以下式I的化合物：其中R1，R2，R3，R4，R5，R6，R7，R8，R9和Y如下定义，并且其药学上可接受的盐。本发明的化合物是KSP抑制剂，特别是人类KSP抑制剂，并可用于治疗多种疾病和病况，如癌症、增生、再狭窄、心脏肥大、免疫障碍、真菌感染和炎症。因此，本发明还涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制KSP并治疗相关病症的方法。在另一个方面，本发明提供了筛选将结合到KSP肌动蛋白的化合物的方法，例如将与本发明化合物的结合位点相竞争或置换的化合物。该方法包括将标记的本发明化合物、KSP肌动蛋白和至少一个候选活性剂结合，并确定候选活性剂与KSP肌动蛋白的结合情况。在进一步的方面，本发明提供了筛选KSP肌动蛋白活性调节剂的方法。该方法包括将本发明化合物、KSP肌动蛋白和至少一个候选活性剂结合，并确定候选活性剂对KSP肌动蛋白活性的影响。
• Baskakov,Yu.A.; Vsevolozhskaya,N.B., Journal of Organic Chemistry USSR (English Translation), 1977, vol. 13, p. 1406 - 1410
  作者：Baskakov,Yu.A.、Vsevolozhskaya,N.B.

  DOI：——

  日期：——
• VSEVOLOZHSKAYA N. B.; BASKAKOV YU. A.; STREBULAEVA A. I., V SB. XZHM. SREDSTVA ZASHCHITY PACT., VYP. 5, M., 1975, 69-75
  作者：VSEVOLOZHSKAYA N. B.、 BASKAKOV YU. A.、 STREBULAEVA A. I.

  DOI：——

  日期：——