2-(1-bromo-ethyl)-3-(4-fluoro-phenyl)-3H-quinazolin-4-one | 329190-49-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-(1-bromo-ethyl)-3-(4-fluoro-phenyl)-3H-quinazolin-4-one
• 英文别名: 2-(1-bromoethyl)-3-(4'-fluorophenyl)quinazolin-4-one；2-(1-bromoethyl)-3-(4-fluorophenyl)-3H-quinazolin-4-one；2-(1-Bromoethyl)3-(4-fluorophenyl)-3H-quinazolin-4-one；2-(1-bromoethyl)-3-(4-fluorophenyl)quinazolin-4-one
• CAS: 329190-49-0
• 化学式: C₁₆H₁₂BrFN₂O
• 分子量: 347.186
• InChiKey: SIYCXZXUVWGSLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1-bromo-ethyl)-3-(4-fluoro-phenyl)-3H-quinazolin-4-one 以 乙醇 、 氯仿 为溶剂， 反应 1.0h， 生成 2-{1-[N-(2-methoxy-5-trifluoromethylphenylcarbamoyl)-N-methylamino]ethyl}-3-(4'-fluorophenyl)quinazolin-4-one
  参考文献：
  名称：

  Mediators of hedgehog signaling pathways, compositions and uses related thereto

  摘要：

  本发明提供了一种抑制由于刺猬增强功能而导致的异常生长状态的方法和试剂，通过将细胞与刺猬拮抗剂（例如小分子）接触，以足够的量来抑制异常生长状态，例如激活正常的ptc途径或拮抗刺猬活性。

  公开号：

  US09173869B2
• 作为产物：
  描述：

  2-(丙酰基氨基)苯甲酸 在 溴 、 sodium acetate 、 溶剂黄146 、 三氯化磷 作用下， 以 甲苯 为溶剂， 生成 2-(1-bromo-ethyl)-3-(4-fluoro-phenyl)-3H-quinazolin-4-one
  参考文献：
  名称：

  Synthesis and structure–activity relationship of 3-phenyl-3H-quinazolin-4-one derivatives as CXCR3 chemokine receptor antagonists

  摘要：

  A series of 3-phenyl-3H-quinazolin-4-ones have been synthesized and tested for affinity and activity at the chemokine CXCR3 receptor. The most potent compound (1d) has been evaluated using radioligand binding and calcium mobilization assays and is considered a useful tool for further characterization of the CXCR3 receptor. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.070

文献信息

• CXCR3 antagonists
  申请人：Tularik Inc.

  公开号：US20020169159A1

  公开（公告）日：2002-11-14

  Compounds, compositions and methods that are useful in the treatment of inflammatory and immune conditions and diseases are provided herein. In particular, the invention provides compounds which modulate the expression and/or function of a chemokine receptor. The subject methods are useful for the treatment of inflammatory and immunoregulatory disorders and diseases, such as multiple sclerosis, rheumatoid arthritis and type I diabetes.

  本文提供了在治疗炎症和免疫状况及疾病中有用的化合物、组合物和方法。具体来说，本发明提供了调节趋化因子受体的表达和/或功能的化合物。所述方法适用于治疗炎症和免疫调节性疾病，如多发性硬化症、类风湿关节炎和I型糖尿病。
• MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO
  申请人：Guicherit Oivin M.

  公开号：US20110077256A1

  公开（公告）日：2011-03-31

  The present invention makes available methods and reagents for inhibiting aberrant growth states resulting from hedgehog gain-of-function by contacting the cell with a hedgehog antagonist, such as a small molecule, in a sufficient amount to aberrant growth state, e.g., to agonize a normal ptc pathway or antagonize hedgehog activity.

  本发明提供了一种通过使用hedgehog拮抗剂（例如小分子）与细胞接触，以足够的量抑制因hedgehog增强功能而导致的异常生长状态的方法和试剂。这种拮抗剂足以激活正常的ptc通路或拮抗hedgehog活性。
• Substituted pyrido[2,3-d]pyrimidines and methods for their use
  申请人：Huang Alan Xi

  公开号：US06964967B2

  公开（公告）日：2005-11-15

  Compounds having the formula: wherein A 4 is N and X is —C(O)— or —CH 2 —, are provided, which are useful as modulators of a chemokine receptor and for treatment of inflammatory and immunoregulatory disorders and diseases. Pharmaceutical compositions and methods of using these compounds for the treatment of inflammatory and immunoregulatory disorders and diseases, such as multiple sclerosis, rheumatoid arthritis and type I diabetes, are also provided.

  提供了具有以下公式的化合物：其中A4为N，X为—C（O）—或—CH2—，它们可用作趋化因子受体的调节剂，用于治疗炎症和免疫调节性疾病。还提供了用于治疗炎症和免疫调节性疾病（如多发性硬化症、类风湿性关节炎和1型糖尿病）的这些化合物的制药组合物和使用方法。
• Substituted Quinazolin-4(3H)-one compounds, compositions, and methods for their use
  申请人：Amgen SF, LLC

  公开号：US07053215B2

  公开（公告）日：2006-05-30

  Compounds are provided that have the formula: where X, A4, Ra, R1, R2, R3, R4, R14, L and Q are as described herein. These compounds are useful, for example, as modulators of a chemokine receptor and for treatment of inflammatory and immunoregulatory disorders and diseases. Pharmaceutical compositions and methods of using these compounds for the treatment of inflammatory and immunoregulatory disorders and diseases, such as multiple sclerosis, rheumatoid arthritis and type I diabetes, are also provided.

  提供具有以下式子的化合物：其中X、A4、Ra、R1、R2、R3、R4、R14、L和Q的描述如下。例如，这些化合物可用作趋化因子受体的调节剂，用于治疗炎症和免疫调节性疾病。还提供了用于治疗炎症和免疫调节性疾病（如多发性硬化症、类风湿性关节炎和1型糖尿病）的这些化合物的药物组合物和使用方法。
• Mediators of hedgehog signalling pathways, compositions and uses related thereto
  申请人：Curis, Inc.

  公开号：EP1516876A1

  公开（公告）日：2005-03-23

  The present invention makes available methods and reagents for inhibiting aberrant growth states resulting from hedgehog gain-of-function by contacting the cell with a hedgehog antagonist, such as a small molecule, in a sufficient amount to aberrant growth state, e.g., to agonize a normal ptc pathway or antagonize hedgehog activity.

  本发明提供了抑制刺猬功能获得所导致的异常生长状态的方法和试剂，其方法是将细胞与刺猬拮抗剂（如小分子）接触，使其达到异常生长状态所需的足够量，如激动正常的 ptc 通路或拮抗刺猬的活性。