(1-allyl-4-methyl-1H-pyrrol-2-yl)(4-methoxyphenyl)methanone | 397325-81-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1-allyl-4-methyl-1H-pyrrol-2-yl)(4-methoxyphenyl)methanone
• 英文别名: (4-methyl-1-(2-propenyl)-1H-pyrrol-2-yl) (4-methoxyphenyl) ketone；Methanone, (4-methoxyphenyl)[4-methyl-1-(2-propenyl)-1H-pyrrol-2-yl]-；(4-methoxyphenyl)-(4-methyl-1-prop-2-enylpyrrol-2-yl)methanone
• CAS: 397325-81-4
• 化学式: C₁₆H₁₇NO₂
• 分子量: 255.316
• InChiKey: LPZOWRJCKMUADU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  31.2
• 氢给体数：
  0
• 氢受体数：
  2

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。
• Novel heteroaryl derivative
  申请人：Watanabe Ken-ichi

  公开号：US20060194857A1

  公开（公告）日：2006-08-31

  A heteroaryl derivative of the formula (1): (wherein Ring Z is an optionally substituted heteroaryl, R 1 is a carboxyl group or an alkoxycarbonyl group, etc., W 1 and W 2 are an optionally substituted lower alkylene, Ar 1 is an optionally substituted arylene or an optionally substituted heteroarylene, W 3 is a single bond, a lower alkylene, a lower alkenylene, etc., W 4 is a single bond, —NR 10 —, etc., Ar 2 is an optionally substituted aryl or an optionally substituted heteroaryl), or a prodrug thereof, or a pharmaceutically acceptable salt thereof.

  式（1）中，环Z是一种可选的取代杂环基，R1是羧基或烷氧羰基基团等，W1和W2是可选的取代的低碳基链，Ar1是可选的取代芳基或可选的取代杂芳基，W3是单键，低碳基链，低烯基链等，W4是单键，—NR10—等，Ar2是可选的取代芳基或可选的取代杂芳基的杂环基，或其前体药物，或其药物可接受的盐。
• 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。
• NOVEL HETEROARYL DERIVATIVE
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1647546B1

  公开（公告）日：2012-05-02
• US7425642B2
  申请人：——

  公开号：US7425642B2

  公开（公告）日：2008-09-16