2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-benzoic acid | 766556-64-3

• 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: 2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-benzoic acid
• 英文别名: 2-fluoro-4-(2-oxopyridin-1-yl)benzoic acid
• CAS: 766556-64-3
• 化学式: C₁₂H₈FNO₃
• 分子量: 233.199
• InChiKey: PEPLGZDVGRPXLY-UHFFFAOYSA-N

物化性质

• 沸点：
  473.5±45.0 °C(Predicted)
• 密度：
  1.443±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-benzoic acid 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 生成
  参考文献：
  名称：

  Structure–activity relationships of anthranilamide-based factor Xa inhibitors containing piperidinone and pyridinone P4 moieties

  摘要：

  Introduction of the phenyl piperidinone and phenyl pyridinone P4 moieties in the anthranilamide scaffold led to potent, selective, and orally bioavailable inhibitors of factor Xa. Anthranilamide 28 displayed comparable efficacy to apixaban in the rabbit arteriovenous-shunt (AV) thrombosis model. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.092
• 作为产物：
  描述：

  2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-benzoic acid methyl ester 在 sodium hydroxide 作用下， 生成 2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-benzoic acid
  参考文献：
  名称：

  Structure–activity relationships of anthranilamide-based factor Xa inhibitors containing piperidinone and pyridinone P4 moieties

  摘要：

  Introduction of the phenyl piperidinone and phenyl pyridinone P4 moieties in the anthranilamide scaffold led to potent, selective, and orally bioavailable inhibitors of factor Xa. Anthranilamide 28 displayed comparable efficacy to apixaban in the rabbit arteriovenous-shunt (AV) thrombosis model. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.092

文献信息

• [EN] LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS<br/>[FR] DIAMINES CYCLIQUES CONTENANT DU LACTAME ET LEURS DERIVES UTILISES EN TANT QU'INHIBITEURS DU FACTEUR XA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2004082687A1

  公开（公告）日：2004-09-30

  The present application describes lactam-containing cyclic diamines and derivatives thereof of Formula I: or pharmaceutically acceptable salt forms thereof, wherein M is a non-aromatic carbocycle or heterocycle. Compounds of the present invention are useful as inhibitors of trysin-like serine proteases, specifically factor Xa.

  本申请描述了含有内酰胺的环状二胺及其衍生物的化合物，化学式如下：或其药用可接受的盐形式，其中M是非芳香族碳环或杂环。本发明的化合物可用作特异性抑制try sin-like丝氨酸蛋白酶，特别是Xa因子。
• Dicarboxamide derivatives
  申请人：Boehringer Markus

  公开号：US20060106016A1

  公开（公告）日：2006-05-18

  The invention is concerned with novel dicarboxamide derivatives of formula (I) wherein A, B, R c , D and E are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit the coagulation factor Xa and can be used as medicaments.

  这项发明涉及式(I)的新颖二羧酰胺衍生物，其中A、B、Rc、D和E如描述和索赔中所定义，并且其生理上可接受的盐。这些化合物抑制凝血因子Xa，可用作药物。
• Cyclic amines
  申请人：Zbinden Groebke Katrin

  公开号：US20060247238A1

  公开（公告）日：2006-11-02

  The invention is concerned with cyclic amines of formula (I) wherein X 1 to X 3 , Y 1 to Y 3 , R 1′ , R 1″ and n are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit coagulation factor Xa and can be used as medicaments and for treating diseases associated with coagulation factor Xa.

  这项发明涉及公式(I)中的环氨基化合物，其中X1至X3，Y1至Y3，R1'，R1"和n如描述和索赔中定义的那样，以及其生理上可接受的盐。这些化合物抑制凝血因子Xa，并可用作药物治疗与凝血因子Xa相关的疾病。
• Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors
  申请人：——

  公开号：US20040204454A1

  公开（公告）日：2004-10-14

  The present application describes lactam-containing cyclic diamines and derivatives thereof of Formula I: P 4 -M-M 4 I or pharmaceutically acceptable salt forms thereof, wherein M is a non-aromatic carbocycle or heterocycle. Compounds of the present invention are useful as inhibitors of trypsin-like serine proteases, specifically factor Xa.

  本申请描述了公式I：P4-M-M4I或其药学上可接受的盐形式的含有内酰胺的环状二胺及其衍生物，其中M是非芳香性碳环或杂环。本发明化合物可用作胰蛋白酶样丝氨酸蛋白酶的抑制剂，特别是因子Xa的抑制剂。
• LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS
  申请人：Qiao X Jennifer

  公开号：US20070135428A1

  公开（公告）日：2007-06-14

  The present application describes lactam-containing cyclic diamines and derivatives thereof of Formula I: P 4 -M-M 4 I or pharmaceutically acceptable salt forms thereof, wherein M is a non-aromatic carbocycle or heterocycle. Compounds of the present invention are useful as inhibitors of trypsin-like serine proteases, specifically factor Xa.

  本申请描述了公式I：P4-M-M4I或其药学上可接受的盐形式的含有内酰胺的环状二胺及其衍生物，其中M为非芳香族碳环或杂环。本发明的化合物可用作胰蛋白酶样丝氨酸蛋白酶的抑制剂，特别是Xa因子的抑制剂。