2-{[2-Oxo-2-(4-phenylphenyl)ethyl]sulfanyl}benzoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-{[2-Oxo-2-(4-phenylphenyl)ethyl]sulfanyl}benzoic acid
• 英文别名: 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylbenzoic acid
• 化学式: C₂₁H₁₆O₃S
• mdl: MFCD01795328
• 分子量: 348.4
• InChiKey: RGYCMOBRSPQQMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.047
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• [EN] GLYOXALASE INHIBITORS<br/>[FR] INHIBITEURS DE LA GLYOXALASE
  申请人：CHROMA THERAPEUTICS LTD

  公开号：WO2004101506A1

  公开（公告）日：2004-11-25

  This invention relates to compounds of formula (I) which are glyoxalase I inhibitors, pharmaceutical salts or compositions comprising such compounds, and the use of such compositions and compounds to treat various conditions alleviated by the inhibition of glyoxalase I. Wherein X is N or CH. R2 is H, CF3; or optionally substituted C5-6 aryl, C3-7 cycloalkyl, C5-7 heterocyclyl. R3 is H; or optionally substituted C5-6 aryl, C3-7 cycloalkyl, C5-7 heterocyclyl. Alternatively R2 and R3 together form an optionally substituted C3-4 alkylene group wherein L3 and L4 are single bonds thus forming a C5-6 ring fused with the aromatic ring to which L3 and L4 are attached. L3 and L4 are independently selected from a single bond, optionally substituted C1-4 alkylene, -L9YN(OH)C(=O)L10- and -L9C(=O)N(OH)YL10-, wherein L9 and L10 are independently selected from optionally substituted C1-4 alkylene, C5-6 arylene, C1-4 alkylene-C5-6 arylene and a single bond, wherein Y is NH or a single bond.

  本发明涉及式（I）化合物，其为乙二醛酶I抑制剂，包括此类化合物的药物盐或组合物，以及使用这些组合物和化合物治疗通过抑制乙二醛酶I缓解的各种病症。其中X为N或CH。R2为H、CF3；或者是可选择的取代C5-6芳基、C3-7环烷基、C5-7杂环基。R3为H；或者是可选择的取代C5-6芳基、C3-7环烷基、C5-7杂环基。或者R2和R3一起形成一个可选择的取代C3-4烷基，其中L3和L4是单键，从而形成一个与L3和L4连接的芳环并嵌合在一起。L3和L4是独立选择的单键、可选择的取代C1-4烷基、-L9YN（OH）C（=O）L10-和-L9C（=O）N（OH）YL10-，其中L9和L10是独立选择的可选择的取代C1-4烷基、C5-6芳基、C1-4烷基-C5-6芳基和单键，其中Y为NH或单键。
• Glyoxalase inhibitors
  申请人：Ashton Mark

  公开号：US20070015799A1

  公开（公告）日：2007-01-18

  This invention relates to compounds of formula (I) which are glyoxalase I inhibitors, pharmaceutical salts or compositions comprising such compounds, and the use of such compositions and compounds to treat various conditions alleviated by the inhibition of glyoxalase 1. Wherein X is N or CH. R 2 is H, CF 3 ; or optionally substituted C 5-6 aryl, C 3-7 cycloalkyl, C 5-7 heterocyclyl. R 3 is H; or optionally substituted C 5-6 aryl, C 3-7 cycloalkyl, C 5-7 heterocyclyl. Alternatively R 2 and R 3 together form an optionally substituted C 3-4 alkylene group wherein L 3 and L 4 are single bonds thus forming a C 5-6 ring fused with the aromatic ring to which L 3 and L 4 are attached. L 3 and L 4 are independently selected from a single bond, optionally substituted C 1-4 alkylene, -L 9 YN(OH)C(═O)L 10 - and -L 9 C(═O)N(OH)YL 10 -, wherein L 9 and L 10 are independently selected from optionally substituted C 1-4 alkylene, C 5-6 arylene, C 1-4 alkylene-C 5-6 arylene and a single bond, wherein Y is NH or a single bond.

  本发明涉及式(I)的化合物，它们是乙二醛酶I抑制剂，包括此类化合物的药物盐或组合物，以及使用这种组合物和化合物来治疗通过抑制乙二醛酶1缓解的各种疾病。其中X是N或CH。R2为H、CF3；或者是可选取代的C5-6芳基、C3-7环烷基、C5-7杂环基。R3为H；或者是可选取代的C5-6芳基、C3-7环烷基、C5-7杂环基。或者R2和R3一起形成一个可选取代的C3-4烷基，其中L3和L4是单键，从而形成一个与L3和L4连接的芳环。L3和L4分别独立选择自单键、可选取代的C1-4烷基、-L9YN(OH)C(═O)L10-和-L9C(═O)N(OH)YL10-，其中L9和L10分别独立选择自可选取代的C1-4烷基、C5-6芳基、C1-4烷基-C5-6芳基和单键，其中Y为NH或单键。
• EP1622869A1
  申请人：——

  公开号：EP1622869A1

  公开（公告）日：2006-02-08