N-{2-[(4-methyl-3-nitrobenzyl)thio]phenyl}thiophene-2-carboxamide | 565461-66-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-{2-[(4-methyl-3-nitrobenzyl)thio]phenyl}thiophene-2-carboxamide
• 英文别名: N-[2-[(4-methyl-3-nitrophenyl)methylsulfanyl]phenyl]thiophene-2-carboxamide
• CAS: 565461-66-7
• 化学式: C₁₉H₁₆N₂O₃S₂
• 分子量: 384.48
• InChiKey: AWHZIHGUZKYCCK-UHFFFAOYSA-N

物化性质

• 沸点：
  489.8±45.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  129
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Cyclopentane heptan(ENE)oic acid, 2-heteroarylalkenyl derivatives as therapeutic agents
  申请人：——

  公开号：US20020198249A1

  公开（公告）日：2002-12-26

  The invention relates to the use of derivatives of F-type prostaglandins as ocular hypotensives. The PGF derivatives used in accordance with the invention are represented by the following formula I: 1 wherein wavy line attachments indicate either the alpha (&agr;) or beta (&bgr;) configuration; dashed bonds represent a double bond, or a single bond, R is a substituted heteroaryl radical, R 1 is hydrogen or a lower alkyl radical having up to six carbon atoms, X is selected from the group consisting of —OR 1 , —N(R 1 ) 2 , R 1 is hydrogen or a lower alkyl radical having up to six carbon atoms, X is selected from the group consisting of —OR 1 , —N(R 1 ) 2 and —N(R 5 )SO 2 R 6 , wherein R 5 represents hydrogen or CH 2 OR 6 and R 6 represents hydrogen or a lower alkyl radical having up to six carbon atoms and halogen substituted derivatives of said lower alkyl radical, e.g. a fluoro substituted lower alkyl radical; Y is ═O or represents 2 hydrogen radicals. Certain of the compounds represented by Formula I comprise another aspect of the present invention.

  本发明涉及将F型前列腺素衍生物用作眼压降低剂。根据本发明使用的PGF衍生物由以下公式I表示：其中波浪线附件表示α（&agr;）或β（&bgr;）构型；虚线键代表双键或单键，R是取代的杂环芳基基团，R1是氢或具有最多六个碳原子的较低烷基基团，X选自以下组：—OR1，—N（R1）2，R1是氢或具有最多六个碳原子的较低烷基基团，X选自以下组：—OR1，—N（R1）2和—N（R5）SO2R6，其中R5表示氢或CH2OR6，R6表示氢或具有最多六个碳原子的较低烷基基团和所述较低烷基基团的卤素取代衍生物，例如氟取代的较低烷基基团；Y为═O或表示2个氢基团。公式I表示的某些化合物是本发明的另一个方面。
• Aromatic thioether liver X-receptor modulators
  申请人：Pharmacia Corporation

  公开号：US20030207898A1

  公开（公告）日：2003-11-06

  The present invention is directed to selective LXR modulators, small molecule compounds corresponding to Formula I and is further directed to a process of treating a condition in a mammal that is modulated by LXR using a therapeutically effective dose of a compound of Formula I.

  本发明涉及选择性LXR调节剂，即与式I相对应的小分子化合物，并进一步涉及使用式I化合物的治疗有效剂量来治疗哺乳动物中由LXR调节的病症的方法。
• Cyclopentane heptan(ene)oic acid, 2-heteroarylalkenyl derivatives as therapeutic agents
  申请人：Allergan, Inc.

  公开号：US20040044045A1

  公开（公告）日：2004-03-04

  The invention relates to the use of derivatives of F-type prostaglandins as ocular hypotensives. The PGF derivatives used in accordance with the invention are represented by the following formula I: 1 wherein wavy line attachments indicate either the alpha (&agr;) or beta (&bgr;) configuration; dashed bonds represent a double bond, or a single bond, R is a substituted heteroaryl radical, R 1 is hydrogen or a lower alkyl radical having up to six carbon atoms, X is selected from the group consisting of —OR 1 , —N(R 1 ) 2 , R 1 is hydrogen or a lower alkyl radical having up to six carbon 20 atoms, X is selected from the group consisting of —OR 1 , —N(R 1 ) 2 and —N(R 5 )SO 2 R 6 , wherein R 5 represents hydrogen or CH 2 OR 6 and R 6 represents hydrogen or a lower alkyl radical having up to six carbon atoms and halogen substituted derivatives of said lower alkyl radical, e.g. a fluoro substituted lower alkyl radical; Y is ═O or represents 2 hydrogen radicals. Certain of the compounds represented by Formula I comprise another aspect of the present invention.

  本发明涉及 F 型前列腺素衍生物作为降眼压剂的用途。根据本发明使用的 PGF 衍生物由下式 I 表示： 1 其中波浪线附件表示α（&agr;）或β（&bgr;）构型；虚线键表示双键或单键，R 是取代的杂芳基，R 1 是氢或最多有六个碳原子的低级烷基，X 选自以下组成的组-OR 1 、-N（R 1 ) 2 , R 1 是氢或最多有 6 个碳 20 原子的低级烷基，X 选自以下组成的组-OR 1 、-N(R 1 ) 2 和-N(R 5 )SO 2 R 6 其中 R 5 代表氢或 CH 2 或 6 和 R 6 代表氢或具有多达六个碳原子的低级烷基和所述低级烷基的卤素取代衍生物，例如氟取代的低级烷基；Y 是═O 或代表 2 个氢基。式 I 所代表的某些化合物包括本发明的另一方面。
• AROMATIC THIOETHER LIVER X-RECEPTOR MODULATORS
  申请人：Pharmacia Corporation

  公开号：EP1463726A2

  公开（公告）日：2004-10-06
• US6602900B2
  申请人：——

  公开号：US6602900B2

  公开（公告）日：2003-08-05