4-[(3-chloro-2-fluorophenyl)amino]-6-[3-(morpholin-4-yl)propyloxy]-7-methoxyquinazoline | 909863-33-8

• 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: 4-[(3-chloro-2-fluorophenyl)amino]-6-[3-(morpholin-4-yl)propyloxy]-7-methoxyquinazoline
• 英文别名: N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine；N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
• CAS: 909863-33-8
• 化学式: C₂₂H₂₄ClFN₄O₃
• 分子量: 446.909
• InChiKey: BIFFYWVZRGCPLC-UHFFFAOYSA-N

物化性质

• 沸点：
  571.6±50.0 °C(Predicted)
• 密度：
  1.322±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  68.7
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-[(3-chloro-2-fluorophenyl)amino]-6-[3-(morpholin-4-yl)propyloxy]-7-methoxyquinazoline 、 丙烯酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以82%的产率得到4-[N-acryloyl-(3-chloro-2-fluorophenyl)amino]-6-[3-(morpholin-4-yl)propyloxy]-7-methoxyquinazoline
  参考文献：
  名称：

  Acrylamide Functional Group Incorporation Improves Drug-like Properties: An Example with EGFR Inhibitors

  摘要：

  We demonstrate that the acrylamide group can be used to improve the drug-like properties of potential drug candidates. In the EGFR inhibitor development, both the solubility and membrane permeability properties of compounds 6a and 7, each containing an acrylamide group, were substantially better than those of gefitinib (1) and AZD3759 (2), respectively. We demonstrated that incorporation of an acrylamide moiety could serve as a good strategy for improving drug-like properties.

  DOI：

  10.1021/acsmedchemlett.8b00270
• 作为产物：
  描述：

  7-甲氧基-6-(3-吗啉-4-基丙氧基)喹唑啉-4(3H)-酮 在 溶剂黄146 、 三乙胺 、 三氯氧磷 作用下， 反应 10.0h， 生成 4-[(3-chloro-2-fluorophenyl)amino]-6-[3-(morpholin-4-yl)propyloxy]-7-methoxyquinazoline
  参考文献：
  名称：

  Acrylamide Functional Group Incorporation Improves Drug-like Properties: An Example with EGFR Inhibitors

  摘要：

  We demonstrate that the acrylamide group can be used to improve the drug-like properties of potential drug candidates. In the EGFR inhibitor development, both the solubility and membrane permeability properties of compounds 6a and 7, each containing an acrylamide group, were substantially better than those of gefitinib (1) and AZD3759 (2), respectively. We demonstrated that incorporation of an acrylamide moiety could serve as a good strategy for improving drug-like properties.

  DOI：

  10.1021/acsmedchemlett.8b00270

文献信息

• Pyrimidyl sulphone amide derivatives as chemokine receptor modulators
  申请人：Ebden Richard Mark

  公开号：US20060025432A1

  公开（公告）日：2006-02-02

  A compound of formula (I), pharmaceutically acceptable salt, solvate or in vivo hydrolysable ester thereof for the treatment of asthma, allergic rhinitis, COPD, inflammatory bowel disease, irritable bowel syndrome, osteoarthritis, osteoporosis, rheumatoid arthritis, psoriasis or cancer.

  化合物(I)的配方，其药用盐、溶剂或体内可水解酯，用于治疗哮喘、过敏性鼻炎、慢性阻塞性肺疾病、炎症性肠病、肠易激综合症、骨关节炎、骨质疏松症、类风湿性关节炎、牛皮癣或癌症。
• Therapeutic agents
  申请人：Luke William Arthur Richard

  公开号：US20060069109A1

  公开（公告）日：2006-03-30

  A compound of the Formula: (I) (A chemical formula should be inserted here—please see paper copy enclosed herewith) Formula: (I); for use as a Tie2 receptor tyrosine kinase inhibitor in a warm-blooded animal such as man.

  化合物的化学式为：（I）（化学式应插入此处-请参阅随附的纸质副本）化学式：（I）； 用于作为Tie2受体酪氨酸激酶抑制剂在温血动物（如人）中使用。
• Combination therapy for cancer treatment
  申请人：Blatt M. Lawrence

  公开号：US20070032457A1

  公开（公告）日：2007-02-08

  The present invention provides methods of treating cancer, the methods generally involving combination therapy. The methods are useful as primary cancer therapy, or as adjuvant therapy. The present invention further provides diagnostic methods for determining the responsiveness of a given tumor to treatment with a combination therapy.
• US7582644B2
  申请人：——

  公开号：US7582644B2

  公开（公告）日：2009-09-01
• Acrylamide Functional Group Incorporation Improves Drug-like Properties: An Example with EGFR Inhibitors
  作者：Kuen-Da Wu、Grace Shiahuy Chen、Jia-Rong Liu、Chen-En Hsieh、Ji-Wang Chern

  DOI：10.1021/acsmedchemlett.8b00270

  日期：2019.1.10

  We demonstrate that the acrylamide group can be used to improve the drug-like properties of potential drug candidates. In the EGFR inhibitor development, both the solubility and membrane permeability properties of compounds 6a and 7, each containing an acrylamide group, were substantially better than those of gefitinib (1) and AZD3759 (2), respectively. We demonstrated that incorporation of an acrylamide moiety could serve as a good strategy for improving drug-like properties.