4-bromo-2-isocyanato-1-methoxy-benzene | 900574-83-6

• 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-bromo-2-isocyanato-1-methoxy-benzene
• 英文别名: 5-bromo-2-methoxyphenyl isocyanate；4-Bromo-2-isocyanato-1-methoxybenzene
• CAS: 900574-83-6
• 化学式: C₈H₆BrNO₂
• 分子量: 228.045
• InChiKey: JETIPBCSRYCACD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 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：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-bromo-2-isocyanato-1-methoxy-benzene 在 氨 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 生成 N-(5-bromo-2-methoxyphenyl)urea
  参考文献：
  名称：

  WO2006/133802

  摘要：

  公开号：
• 作为产物：
  描述：

  三光气 、 5-溴-2-甲氧基苯胺 以 甲苯 为溶剂， 反应 9.0h， 以0.99 g的产率得到4-bromo-2-isocyanato-1-methoxy-benzene
  参考文献：
  名称：

  基于α-环糊精的[3]轮烷的有效合成和修饰，可实现多种分子设计。

  摘要：

  的简便合成α - cyclodextrin-（α - CD-）基于[3]轮烷以及它们的结构的修改进行了详细讨论。伪[3]轮烷是由α - CD和α ，ω-二氨基十二烷在水中制得的，与异氰酸酯的连续尿素形成封端反应提供了[3]轮烷。通过与芳基硼酸的Suzuki偶联和与酸酐的酰化作用分别对[3]轮烷的轴端和车轮OH基进行了重大修饰。

  DOI：

  10.1002/ejoc.201900362
• 作为试剂：
  描述：

  4-bromo-2-isocyanato-1-methoxy-benzene 、 [4-(4-amino-indol-1-ylmethyl)-pyridin-2-yl]-carbamic acid tert-butyl ester 在 4-bromo-2-isocyanato-1-methoxy-benzene 作用下， 生成
  参考文献：
  名称：

  Certain substituted ureas as modulators of kinase activity

  摘要：

  本文提供了从式1化合物中选择的某些化学实体及其药学可接受的盐、溶剂化物、晶体形式、螯合物、非共价复合物、前药和混合物。本文还提供了包含至少一种化学实体和一种或多种药学可接受的载体、佐剂和赋形剂的制药组合物。本文还揭示了用于治疗对血管生成激酶调节有反应的某些疾病和障碍的患者的方法，包括向这些患者施用足够量的至少一种化学实体，以减少疾病或障碍的症状或体征。这些疾病包括癌症，包括乳腺肿瘤、子宫内膜癌、结肠癌和颈部鳞状细胞癌。治疗方法包括将至少一种化学实体作为单一活性剂施用或与一种或多种其他治疗剂联合使用。本文还揭示了一种用于确定样品中是否存在血管生成激酶的方法，包括在允许检测血管生成激酶活性的条件下，将样品与至少一种化学实体接触，检测血管生成激酶活性水平，并从中确定样品中是否存在血管生成激酶。

  公开号：

  US20060199846A1

文献信息

• Certain substituted ureas, as modulators of kinase activity
  申请人：Mitchell A. Scott

  公开号：US20060270702A1

  公开（公告）日：2006-11-30

  Certain chemical entities chosen from compounds of Formula 1 and pharmaceutically acceptable salts, solvates, chelates, non-covalent complexes, and prodrugs thereof, are provided herein. Pharmaceutical compositions comprising at least one chemical entity and one or more pharmaceutically acceptable vehicles chosen from carriers, adjuvants, and excipients, are also provided herein. Methods of treating patients suffering from certain diseases and disorders responsive to angiogenic kinase modulation, which comprise administering to such patients an amount of at least one chemical entity effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include cancer, including breast neoplasia, endometrial cancer, colon cancer, and neck squamous cell carcinoma. Methods of treatment include administering at least one chemical entity as a single active agent or administering such at least one chemical entity in combination with one or more other therapeutic agents. A method for determining the presence or absence of an angiogenic kinase in a sample comprising contacting the sample with at least one chemical entity under conditions that permit detection of activity of the angiogenic kinase, detecting a level of the activity of the angiogenic kinase, and therefrom determining the presence or absence of the angiogenic kinase in the sample.

  本文提供了从化合物1的化学实体和药用可接受的盐、溶剂化合物、螯合物、非共价复合物和前药中选择的某些化学实体。本文还提供了包括至少一种化学实体和一种或多种药用可接受载体（如载体、辅料和赋形剂）的药物组合物。公开了治疗对血管生成激酶调节敏感的某些疾病和疾病的方法，包括向这些患者施用至少一种化学实体的有效量以减少疾病或疾病症状的方法。这些疾病包括癌症，包括乳腺肿瘤、子宫内膜癌、结肠癌和颈部鳞状细胞癌。治疗方法包括将至少一种化学实体作为单一活性剂或将至少一种化学实体与一种或多种其他治疗剂结合使用的方法。一种用于确定样品中是否存在血管生成激酶的方法，包括将样品与至少一种化学实体接触在允许检测血管生成激酶活性的条件下，检测血管生成激酶活性水平，并从中确定样品中是否存在血管生成激酶。
• N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists
  申请人：Terricabras Belart Emma

  公开号：US20090130090A1

  公开（公告）日：2009-05-21

  New antagonists of the interaction between the CCR1 Chemokine receptor and its ligands, including MIP-1α (CCL3), represented by formula (I) are disclosed, as well as pharmaceutical compositions comprising them and their use in therapy for the treatment of pathological conditions or diseases susceptible of being improved by antagonism of the CCR1 receptor.

  本发明揭示了与其配体（包括MIP-1α（CCL3））的CCR1趋化因子受体之间相互作用的新拮抗剂，其表示为公式（I）。此外，还揭示了包含它们的制药组合物以及它们在治疗病理情况或疾病中的使用，这些病理情况或疾病可以通过抗CCR1受体的作用得到改善。
• CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY
  申请人：Mitchell Scott A.

  公开号：US20100286190A1

  公开（公告）日：2010-11-11

  Certain chemical entities chosen from compounds of Formula 1 and pharmaceutically acceptable salts, solvates, chelates, non-covalent complexes, and prodrugs thereof, are provided herein. Pharmaceutical compositions comprising at least one chemical entity and one or more pharmaceutically acceptable vehicles chosen from carriers, adjuvants, and excipients, are also provided herein. Methods of treating patients suffering from certain diseases and disorders responsive to angiogenic kinase modulation, which comprise administering to such patients an amount of at least one chemical entity effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include cancer, including breast neoplasia, endometrial cancer, colon cancer, and neck squamous cell carcinoma. Methods of treatment include administering at least one chemical entity as a single active agent or administering such at least one chemical entity in combination with one or more other therapeutic agents. A method for determining the presence or absence of an angiogenic kinase in a sample comprising contacting the sample with at least one chemical entity under conditions that permit detection of activity of the angiogenic kinase, detecting a level of the activity of the angiogenic kinase, and therefrom determining the presence or absence of the angiogenic kinase in the sample.

  本文提供了从式1化合物和药学上可接受的盐、溶剂、螯合物、非共价复合物和前药中选择的某些化学实体。本文还提供了包含至少一种化学实体和选择自载体、佐剂和赋形剂的一种或多种药学上可接受的载体的制药组合物。公开了治疗对血管生成激酶调节有反应的某些疾病和疾病的患者的方法，其中包括向这些患者施用至少一种化学实体的有效剂量以减少疾病或疾病的症状或体征。这些疾病包括癌症，包括乳腺肿瘤、子宫内膜癌、结肠癌和颈部鳞状细胞癌。治疗方法包括将至少一种化学实体作为单一活性剂或与一种或多种其他治疗剂联合使用。一种用于确定样品中是否存在血管生成激酶的方法，包括将样品与至少一种化学实体接触，以允许检测血管生成激酶的活性，检测血管生成激酶活性的水平，并从中确定样品中是否存在血管生成激酶。
• 1,3-diaryl substituted ureas as modulators of kinase activity.
  申请人：CGI Pharmaceuticals, Inc.

  公开号：EP2397478A1

  公开（公告）日：2011-12-21

  Certain chemical entities chosen from compounds of Formula 1 and pharmaceutically acceptable salts, solvates, crystal forms, chelates, non-covalent complexes, prodrugs, and mixtures thereof, are provided herein. Pharmaceutical compositions comprising at least one chemical entity and one or more pharmaceutically acceptable vehicle chosen from carriers, adjuvants, and excipients, are also provided herein. Use in treating patients suffering from certain diseases and disorders responsive to angiogenic kinase modulation, which comprise administering to such patients an amount of at least one chemical entity effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include cancer, including breast neoplasia, endometrial cancer, colon cancer, and neck squamous cell carcinoma. A method for determining the presence or absence of an angiogenic kinase in a sample comprising contacting the sample with at least one chemical entity under conditions that permit detection of activity of the angiogenic kinase, or detecting a level of the activity of the angiogenic kinase.

  选自式 1 化合物的某些化学实体 及其药学上可接受的盐、溶液、晶体、螯合物、非共价复合物、原药和混合物。本文还提供了由至少一种化学实体和一种或多种药学上可接受的载体（选自载体、佐剂和赋形剂）组成的药物组合物。公开了用于治疗对血管生成激酶调节有反应的某些疾病和失调患者的方法，其中包括向此类患者施用有效减少疾病或失调的体征或症状的至少一种化学实体。这些疾病包括癌症，包括乳腺癌、子宫内膜癌、结肠癌和颈部鳞状细胞癌。一种确定样品中是否存在血管生成激酶的方法，包括在允许检测血管生成激酶活性的条件下将样品与至少一种化学物质接触，或检测血管生成激酶的活性水平。
• Imidazo[1,2-a]pyrazine diaryl ureas: Inhibitors of the receptor tyrosine kinase EphB4
  作者：Scott A. Mitchell、Mihaela Diana Danca、Peter A. Blomgren、James W. Darrow、Kevin S. Currie、Jeffrey E. Kropf、Seung H. Lee、Steven L. Gallion、Jin-Ming Xiong、Douglas A. Pippin、Robert W. DeSimone、David R. Brittelli、David C. Eustice、Aaron Bourret、Melissa Hill-Drzewi、Patricia M. Maciejewski、Lisa L. Elkin

  DOI：10.1016/j.bmcl.2009.10.037

  日期：2009.12

  Inhibition of receptor tyrosine kinases (RTKs) such as vascular endothelial growth factor receptors (VEGFRs) and platelet-derived growth factor receptors (PDGFRs) has been validated by recently launched small molecules Sutent(R) and Nexavar(R), both of which display activities against several angiogenesis-related RTKs. EphB4, a receptor tyrosine kinase (RTK) involved in the processes of embryogenesis and angiogenesis, has been shown to be aberrantly up regulated in many cancer types such as breast, lung, bladder and prostate. We propose that inhibition of EphB4 in addition to other validated RTKs would enhance the anti-angiogenic effect and ultimately result in more pronounced anti-cancer efficacy. Herein we report the discovery and SAR of a novel series of imidazo[1,2-a]pyrazine diarylureas that show nano-molar potency for the EphB4 receptor, in addition to potent activity against several other RTKs. (C) 2009 Elsevier Ltd. All rights reserved.