[5-formyl-6-(2-methoxy-ethoxymethoxy)-biphenyl-3-yl]-acetic acid methyl ester | 277313-24-3

• 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: [5-formyl-6-(2-methoxy-ethoxymethoxy)-biphenyl-3-yl]-acetic acid methyl ester
• 英文别名: methyl 2-[3-formyl-4-(2-methoxyethoxymethoxy)-5-phenylphenyl]acetate
• CAS: 277313-24-3
• 化学式: C₂₀H₂₂O₆
• 分子量: 358.391
• InChiKey: PMJDYNHEVNXEHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  26
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [5-formyl-6-(2-methoxy-ethoxymethoxy)-biphenyl-3-yl]-acetic acid methyl ester 在 盐酸 、 bis-triphenylphosphine-palladium(II) chloride 、 sodium hydroxide 、 copper(l) iodide 、 氨 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Optimization of a screening lead for factor VIIa/TF

  摘要：

  The structure-based design and progression of a screening lead to a 3 nM factor VIIa/TF inhibitor with improved selectivity versus related enzymes is described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00420-6
• 作为产物：
  描述：

  4-羟基苯乙酸甲酯 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 sodium carbonate 、 N,N-二异丙基乙胺 、 magnesium chloride 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 生成 [5-formyl-6-(2-methoxy-ethoxymethoxy)-biphenyl-3-yl]-acetic acid methyl ester
  参考文献：
  名称：

  Optimization of a screening lead for factor VIIa/TF

  摘要：

  The structure-based design and progression of a screening lead to a 3 nM factor VIIa/TF inhibitor with improved selectivity versus related enzymes is described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00420-6

文献信息

• (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors
  申请人：Allen Darin A.

  公开号：US06867200B1

  公开（公告）日：2005-03-15

  The present invention provides novel compounds of the Formula (I): A-B, its prodrug forms, or pharmaceutically acceptable salts thereof, wherein A represents a saturated, unsaturated, or a partially unsaturated bicyclic heterocyclic ring structure, and B represents an aryl or a heteroaryl group. Preferred compounds of the present invention comprise a benzimidazole or indole nucleus. The compounds of this invention are inhibitors of serine proteases, Urokinase (uPA), Factor Xa (FXa), and/or Factor VIIa (FVIIa), and have utility as anti cancer agents and/or as anticoagulants for the treatment or prevention of thromboembolic disorders in mammals.

  本发明提供了Formula (I)的新化合物：A-B，其前药形式，或其药学上可接受的盐，其中A代表饱和、不饱和或部分不饱和的双环杂环环结构，B代表芳基或杂芳基团。本发明的首选化合物包括苯并咪唑或吲哚核。本发明的化合物是丝氨酸蛋白酶、尿激酶（uPA）、Xa因子（FXa）和/或VIIa因子（FVIIa）的抑制剂，并具有作为抗癌剂和/或抗凝血剂的用途，用于治疗或预防哺乳动物的血栓栓塞疾病。
• (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS
  申请人：AXYS PHARMACEUTICALS, INC.

  公开号：EP1140859A2

  公开（公告）日：2001-10-10
• US6867200B1
  申请人：——

  公开号：US6867200B1

  公开（公告）日：2005-03-15
• [EN] PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTEASES
  申请人：AXYS PHARM INC

  公开号：WO2000035886A2

  公开（公告）日：2000-06-22

  The present invention provides novel compounds of the Formula (I): A-B, its prodrug forms, or pharmaceutically acceptable salts thereof, wherein A represents a saturated, unsaturated, or a partially unsaturated bicyclic heterocyclic ring structure, and B represents an aryl or a heteroaryl group. Preferred compounds of the present invention comprise a benzimidazole or indole nucleus. The compounds of this invention are inhibitors of serine proteases, Urokinase (uPA), Factor Xa (FXa), and/or Factor VIIa (FVIIa), and have utility as anti cancer agents and/or as anticoagulants for the treatment or prevention of thromboembolic disorders in mammals.