7-amino-4-(4-fluorophenyl)-5-(hydroxymethyl)-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one | 945970-92-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 7-amino-4-(4-fluorophenyl)-5-(hydroxymethyl)-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one
• 英文别名: 7-amino-4-(4-fluorophenyl)-5-(hydroxymethyl)-2,2-dimethyl-1,4-benzoxazin-3-one
• CAS: 945970-92-3
• 化学式: C₁₇H₁₇FN₂O₃
• 分子量: 316.332
• InChiKey: VSADXRVYTCFFCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  75.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  甲醇 、 7-amino-4-(4-fluorophenyl)-5-(hydroxymethyl)-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 19.0h， 生成 N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl]methanesulfonamide 、 N-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl]methanesulfonamide
  参考文献：
  名称：

  WO2007/89034

  摘要：

  公开号：

文献信息

• Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents
  申请人：Iijima Toru

  公开号：US20090023716A1

  公开（公告）日：2009-01-22

  The present invention relates to a compound, useful as a mineralocorticoid receptor-modulating agent, of the following formula [I]: wherein Ring A is a benzene ring optionally having a substituent(s) other than R 1 etc, R 1 is a group of the formula: R a SO 2 NH— etc, R a is an alkyl group etc, R 2 and R 3 are each a hydrogen atom, a phenyl group, an optionally substituted alkyl group etc, X is an oxygen atom etc, Y is a group of the formula: —C(═O)— etc, Ar is an optionally substituted aryl group or an optionally substituted heteroaryl group, Q is a single bond, an alkylene group etc, or a pharmaceutically acceptable salt thereof.

  本发明涉及一种化合物，可用作矿物质皮质激素受体调节剂，其化学式如下[I]：其中，环A是苯环，可选地具有除R1等之外的取代基；R1是公式RaSO2NH-等的基团；R是烷基等；R2和R3分别是氢原子，苯基，可选地取代的烷基等；X是氧原子等；Y是公式-C（=O）-等的基团；Ar是可选地取代的芳基或可选地取代的杂环基；Q是单键，烷基等，或其药学上可接受的盐。
• Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：US08188073B2

  公开（公告）日：2012-05-29

  The present invention relates to a compound, useful as a mineralocorticoid receptor-modulating agent, of the following formula [I]: wherein Ring A is a benzene ring optionally having a substituent(s) other than R1 etc, R1 is a group of the formula: RaSO2NH— etc, Ra is an alkyl group etc, R2 and R3 are each a hydrogen atom, a phenyl group, an optionally substituted alkyl group etc, X is an oxygen atom etc, Y is a group of the formula: —C(═O)— etc, Ar is an optionally substituted aryl group or an optionally substituted heteroaryl group, Q is a single bond, an alkylene group etc, or a pharmaceutically acceptable salt thereof.

  本发明涉及一种化合物，可用作矿物质皮质激素受体调节剂，其化学式如下[I]：其中，环A是苯环，可选地具有除R1等以外的取代基；R1是公式RaSO2NH-等的基团，Ra是烷基等；R2和R3分别是氢原子、苯基、可选地取代的烷基等；X是氧原子等；Y是公式-C（═O）-等的基团；Ar是可选地取代的芳基或可选地取代的杂环基团；Q是单键、烷基等，或其药学上可接受的盐。
• BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS
  申请人：IIJIMA Toru

  公开号：US20110251185A1

  公开（公告）日：2011-10-13

  The present invention relates to a compound, useful as a mineralocorticoid receptor-modulating agent, of the following formula [I]: wherein Ring A is a benzene ring optionally having a substituent(s) other than R 1 etc, R 1 is a group of the formula: R a SO 2 NH— etc, R a is an alkyl group etc, R 2 and R 3 are each a hydrogen atom, a phenyl group, an optionally substituted alkyl group etc, X is an oxygen atom etc, Y is a group of the formula: —C(═O)— etc, Ar is an optionally substituted aryl group or an optionally substituted heteroaryl group, Q is a single bond, an alkylene group etc, or a pharmaceutically acceptable salt thereof.

  本发明涉及一种化合物，其具有以下式[I]，可用作矿物质皮质激素受体调节剂： 其中，环A是苯环，可选择具有取代基(R1等)以外的取代基；R1是公式RaSO2NH-等的基团；R是烷基等；R2和R3分别是氢原子、苯基、可选择取代的烷基等；X是氧原子等；Y是公式-C(═O)-等的基团；Ar是可选择取代的芳基或可选择取代的杂环基；Q是单键、烷基等；或其药学上可接受的盐。
• US7998956B2
  申请人：——

  公开号：US7998956B2

  公开（公告）日：2011-08-16
• US8188073B2
  申请人：——

  公开号：US8188073B2

  公开（公告）日：2012-05-29