(4-fluorophenyl)-[1-[4-[(5Z)-5-hydroxyimino-2-methyl-1,1-dioxo-3,4-dihydropyrrolo[2,3-f]thiazepin-6-yl]butyl]piperidin-4-yl]methanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4-fluorophenyl)-[1-[4-[(5Z)-5-hydroxyimino-2-methyl-1,1-dioxo-3,4-dihydropyrrolo[2,3-f]thiazepin-6-yl]butyl]piperidin-4-yl]methanone
• 化学式: C₂₄H₃₁FN₄O₄S
• 分子量: 490.6
• InChiKey: XJAGHFKVYQZMEM-QLYXXIJNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Pyrrolothiazine and pyrrolothiazepine compounds having serotonin-2 receptor antagonist and alpha-1-blocking action
  申请人：DAIICHI SUNTORY PHARMA CO., LTD

  公开号：US20030229070A1

  公开（公告）日：2003-12-11

  A pyrrolesulfonamide compound having the following formula (I): 1 wherein the ring P represented by 2 is a pyrrole ring having the following structure: 3 wherein A represents alkylene, alkenylene or alkynylene; and Y represents a group 4 which W represents CH, C═ or N; m stands for 0 or 1 when W is CH or N, or m stands for 1 when W is C═; B represents a specific divalent group; E 1 and E 2 each independently represents H or lower alkyl; and D represents an aromatic hydrocarbon group or heterocyclic group; l stands for 0 or 1; the dashed line indicates the presence or absence of a bond; and, when the bond is present, Z 2 is not present and Z 1 represents H but, when the bond is absent, Z 1 represents H and Z 2 represents OH or Z 1 and Z 2 are combined together to represent O or a group NOR 5 , in which R 5 represents H, or alkyl, aralkyl or aryl; and R represents H, alkyl, cycloalkyl, cycloalkyl-alkyl or aralkyl. The compound (1) has been improved in potency, selectivity to receptors other than serotonin-2 receptors, toxicity, side effects and/or the like over medicines reported to date and equipped with &agr; 1 -blocking action and serotonin-2 receptor antagonistic action in combination.

  具有以下结构式（I）的吡咯磺酰胺化合物： 其中，由2表示的环P是具有以下结构的吡咯环： 其中，A表示烷基，烯基或炔基；Y表示基团4，其中W表示CH，C═或N；当W为CH或N时，m为0或1；当W为C═时，m为1；B表示特定的二价基团；E1和E2各自独立地表示H或低碳基；D表示芳香烃基或杂环基团；l为0或1；虚线表示键的存在或不存在；当键存在时，Z2不存在且Z1表示H，但当键不存在时，Z1表示H且Z2表示OH或Z1和Z2结合表示O或NOR5基团，其中R5表示H或烷基，芳基烷基或芳基；R表示H，烷基，环烷基，环烷基烷基或芳基烷基。该化合物（1）在与α1-阻滞作用和5-羟色胺2受体拮抗作用相结合的药物中，已经在效力、对除5-羟色胺2受体以外的受体的选择性、毒性、副作用等方面得到了改善。
• Pyrrolothiazine and pyrrolothiazepine compounds having serotonin-2 receptor antagonistic and alpha-1-blocking action
  申请人：SUNTORY LIMITED

  公开号：US20020137928A1

  公开（公告）日：2002-09-26

  A pyrrolesulfonamide compound having the following 1 is a pyrrole ring having the following structure: 2 wherein A represents alkylene, alkenylene or alkynylene; and Y represents a group 3 in which W represents CH, C═ or N; m stands for 0 or 1 when W is CH or N, or m stands for 1 when W is C═; B represents a specific divalent group; E 1 and E 2 each independently represents H or lower alkyl; and D represents an aromatic hydrocarbon group or heterocyclic group; l stands for 0 or 1; the dashed line indicates the presence or absence of a bond; and, when the bond is present, Z 2 is not present and Z 1 represents H but, when the bond is absent, Z 1 represents H and Z 2 represents OH or Z 1 and Z 2 are combined together to represent O or a group NOR 5 , in which R 5 represents H, or alkyl, aralkyl or aryl; and R represents H, alkyl, cycloalkyl, cycloalkyl-alkyl or aralkyl. The compound (1) has been improved in potency, selectivity to receptors other than serotonin-2 receptors, toxicity, side effects and/or the like over medicines reported to date and equipped with &agr; 1 -blocking action and serotonin-2 receptor antagonistic action in combination.

  一种吡咯磺酰胺化合物，具有以下结构1，其中，A代表烷基，烯基或炔基；Y代表具有以下结构3的基团，其中，W代表CH，C═或N；当W为CH或N时，m为0或1；当W为C═时，m为1；B代表特定的二价基团；E1和E2各自独立地代表H或低碳基；D代表芳香族烃基或杂环基；l为0或1；虚线表示键的存在或不存在；当键存在时，Z2不存在且Z1代表H，但当键不存在时，Z1代表H且Z2代表OH或Z1和Z2组合在一起表示O或NOR5基团，其中R5代表H，或烷基，芳基烷基或芳基；R代表H，烷基，环烷基，环烷基烷基或芳基烷基。该化合物（1）在α1-阻滞作用和5-羟色胺2受体拮抗作用的组合方面，已经在药物的效力、选择性、毒性、副作用等方面得到了改进。
• PYRROLOTHIAZINE AND PYRROLOTHIAZEPINE COMPOUNDS HAVING SEROTONIN-2 RECEPTOR ANTAGONISTIC AND ALPHA-1-BLOCKING ACTION
  申请人：SUNTORY LIMITED

  公开号：EP0970089A2

  公开（公告）日：2000-01-12
• US6331623B1
  申请人：——

  公开号：US6331623B1

  公开（公告）日：2001-12-18
• US6583296B2
  申请人：——

  公开号：US6583296B2

  公开（公告）日：2003-06-24