(1-p-toluenesulfonyl-1H-pyrrol-2-yl) (4-allyloxyphenyl) ketone | 397321-88-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1-p-toluenesulfonyl-1H-pyrrol-2-yl) (4-allyloxyphenyl) ketone
• 英文别名: [1-(4-Methylphenyl)sulfonylpyrrol-2-yl]-(4-prop-2-enoxyphenyl)methanone
• CAS: 397321-88-9
• 化学式: C₂₁H₁₉NO₄S
• 分子量: 381.452
• InChiKey: SXKILGFBKQBEDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Pyrrole derivatives
  申请人：Sumitomo Pharmaceuticals Co., Ltd.

  公开号：US20040209939A1

  公开（公告）日：2004-10-21

  Pyrrole derivatives represented by the following formula: 1 wherein Ring Z is an optionally substituted pyrrole ring, etc.; W 2 is —CO—, —SO 2 —, an optionally substituted C 1 -C 4 alkylene, etc.; Ar 2 is an optionally substituted aryl, etc.; W 1 and Ar 1 mean the following (1) and (2): (1) W 1 is an optionally substituted C 1 -C 4 alkylene, etc.; Ar 1 is an optionally substituted bicyclic heteroaryl having 1 to 4 nitrogen atoms as ring-forming atoms: (2) W 1 is an optionally substituted C 2 -C 5 alkylene, an optionally substituted C 2 -C 5 alkenylene, etc.; and Ar 1 is an aryl or monocyclic heteroaryl, which are substituted by carboxyl, an alkoxycarbonyl, etc. at the ortho- or meta-position thereof with respect to the binding position of W 1 , or a pharmaceutically acceptable salt thereof. These compounds are useful as medicaments such as a fibrosis inhibitor for organs or tissues.

  以下公式所表示的吡咯衍生物：1其中，环Z是可选取代的吡咯环等；W2是—CO—、—SO2—、可选取代的C1-C4烷基等；Ar2是可选取代的芳基等；W1和Ar1分别表示以下（1）和（2）：（1）W1是可选取代的C1-C4烷基等；Ar1是具有1至4个氮原子作为环形成原子的可选取代的双环杂芳基；（2）W1是可选取代的C2-C5烷基、可选取代的C2-C5烯基等；Ar1是取代了羧基、烷氧基羰基等的芳基或单环杂芳基，其在W1的结合位置的邻位或间位取代。或其药学上可接受的盐。这些化合物可用作药物，例如用于器官或组织的纤维化抑制剂。
• Fibrosis inhibitor
  申请人：Tokunaga Teruhisa

  公开号：US20050227978A1

  公开（公告）日：2005-10-13

  Medicament being useful as a fibrosis inhibitor for organs or tissues, which comprises a compound of the formula (I): wherein Ring Z is optionally substituted pyrrole ring, etc.; W 2 is —CO—, —SO 2 —, optionally substituted C 1 -C 4 alkylene, etc.; Ar 2 is optionally substituted aryl, etc.; W 1 and Ar 1 mean the following (1) and (2): (1) W 1 is optionally substituted C 1 -C 4 alkylene, etc.; Ar 1 is optionally substituted bicyclic heteroaryl having 1 to 4 nitrogen atoms as ring-forming atoms: (2) W 1 is optionally substituted C 2 -C 5 alkylene, optionally substituted C 2 -C 5 alkenylene, etc.; and Ar 1 is aryl or monocyclic heteroaryl, which is substituted by carboxyl, alkoxycarbonyl, etc. at the ortho- or meta-position thereof with respect to the binding position of W 1 , or a pharmaceutically acceptable salt thereof.

  药物作为纤维化抑制剂对器官或组织有用，包括式(I)的化合物，其中环Z是可选取代的吡咯环等; W2是- CO-，-SO2-，可选取代的C1-C4烷基等; Ar2是可选取代的芳基等; W1和Ar1表示以下(1)和(2):(1)W1是可选取代的C1-C4烷基等; Ar1是具有1至4个氮原子作为环形成原子的可选取代的双环杂环芳基;(2)W1是可选取代的C2-C5烷基，可选取代的C2-C5烯基等; Ar1是芳基或单环杂环芳基，其在与W1的结合位置相对的邻位或间位上被羧基，烷氧基羰基等取代，或其药学上可接受的盐。