2-(4-Hydroxy-2-oxo-2H-chromen-3-ylmethyl)-benzoic acid | 473876-52-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 2-(4-Hydroxy-2-oxo-2H-chromen-3-ylmethyl)-benzoic acid
• 英文别名: 2-[(4-hydroxy-2-oxochromen-3-yl)methyl]benzoic acid
• CAS: 473876-52-7
• 化学式: C₁₇H₁₂O₅
• 分子量: 296.279
• InChiKey: RYVKTBLMSMUECJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-Hydroxy-2-oxo-2H-chromen-3-ylmethyl)-benzoic acid 在 硫酸 作用下， 以 甲醇 为溶剂， 生成 2-(4-Hydroxy-2-oxo-2H-chromen-3-ylmethyl)-benzoic acid methyl ester
  参考文献：
  名称：

  Materials and methods for treating coagulation disorders

  摘要：

  本发明涉及一种更容易被代谢药物解毒系统代谢的化合物。特别是，本发明涉及设计为在化合物结构中包含酯的华法林类似物。本发明教导了通过在药物合成过程中引入酯基团来降低药物毒性的方法。本发明还涉及治疗凝血障碍的方法，包括给予已设计为能够被血清或细胞内的水解酶和酯酶代谢的化合物。还教导了含有酯的华法林类似物的药物组合物。

  公开号：

  US20030199573A1
• 作为产物：
  描述：

  4-hydroxy-3-(3-oxo-1,3-dihydroisobenzofuran-1-yl)-2H-chromen-2-one 在 钯 氢气 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以to give 2-(4-Hydroxy-2-oxo-2H-chromen-3-ylmethyl)-benzoic acid as white solid (50 mg)的产率得到2-(4-Hydroxy-2-oxo-2H-chromen-3-ylmethyl)-benzoic acid
  参考文献：
  名称：

  Materials and methods for treating coagulation disorders

  摘要：

  本发明提供了式I的抗凝剂化合物及其药学上可接受的盐，其中R1、R3、n和Ar的定义如本文所述。本发明的化合物可用于治疗处于风险中的人群，从而缓解症状，改善生活质量，预防急性和长期并发症，降低死亡率并治疗伴随的疾病。本发明还包括包含该化合物和该发明的盐的制药组合物，以及使用该化合物、盐和组合物的方法。

  公开号：

  US07285671B2

文献信息

• [EN] MATERIALS AND METHODS FOR TREATING COAGULATION DISORDERS<br/>[FR] MATERIAUX ET PROCEDES DE TRAITEMENT DE TROUBLES DE LA COAGULATION
  申请人：ARYX THERAPEUTICS

  公开号：WO2005100336A1

  公开（公告）日：2005-10-27

  The subject invention provides anticoagulant compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R1, R3, n and Ar are as defined herein. The compounds of the subject invention can be used to treat at-risk populations thereby bringing relief of symptoms, improving the quality of life, preventing acute and long-term complications, reducing mortality and treating accompanying disorders. The invention further comprises pharmaceutical compositions comprising the compounds and salts of the invention, as well as methods of using the compounds, salts, and compositions of the invention.

  本发明提供了公式(I)的抗凝剂化合物及其药学上可接受的盐，其中R1、R3、n和Ar的定义如本文所述。本发明的化合物可用于治疗高风险人群，从而缓解症状，提高生活质量，预防急性和长期并发症，降低死亡率并治疗伴随的疾病。本发明还包括包含该化合物和该发明中盐的制药组合物，以及使用该化合物、盐和组合物的方法。
• Materials and Methods for Treating Coagulation Disorders
  申请人：Druzgala Pascal

  公开号：US20080221204A1

  公开（公告）日：2008-09-11

  This invention is drawn to compounds which are more easily metabolized by the metabolic drug detoxification systems. Particularly, warfarin analogs which have been designed to include esters within the structure of the compounds are taught. The invention teaches methods of reducing the toxicity of drugs comprising the introduction of ester groups into drugs during the synthesis of the drug. This invention is also drawn to methods of treating coagulation disorders comprising the administration of compounds which have been designed to be metabolized by serum or intracellular hydrolases and esterases. Pharmaceutical compositions of the ester containing warfarin, analogs are also taught.

  本发明涉及化合物，这些化合物更容易被代谢药物解毒系统代谢。特别地，本发明涉及华法林类似物，其已被设计为在化合物的结构中包含酯基。本发明教导了在药物合成过程中引入酯基来减少药物毒性的方法。本发明还涉及治疗凝血障碍的方法，包括给予被设计为被血清或细胞内酯酶代谢的化合物。本发明还教导了含有酯基华法林类似物的药物组成物。
• Materials And Methods For Treating Coagulation Disorders
  申请人：Druzgala Pascal

  公开号：US20070129429A1

  公开（公告）日：2007-06-07

  This invention is drawn to compounds which are more easily metabolized by the metabolic drug detoxification systems. Particularly, warfarin analogs which have been designed to include esters within the structure of the compounds are taught. The invention teaches methods of reducing the toxicity of drugs comprising the introduction of ester groups into drugs during the synthesis of the drug. This invention is also drawn to methods of treating coagulation disorders comprising the administration of compounds which have been designed to be metabolized by serum or intracellular hydrolases and esterases. Pharmaceutical compositions of the ester containing warfarin, analogs are also taught.

  本发明涉及一种化合物，该化合物更易于被代谢药物解毒系统代谢。特别是，本发明教授了设计在化合物结构中包含酯基的华法林类似物。本发明教授了一种通过在药物合成过程中引入酯基来减少药物毒性的方法。本发明还涉及一种治疗凝血障碍的方法，该方法包括给予已经设计成可以被血清或细胞内水解酶和酯酶代谢的化合物。本发明还涉及含有酯基华法林类似物的制药组合物。
• Materials and Methods For Treating Coagulation Disorders
  申请人：Druzgala Pascal

  公开号：US20080027132A1

  公开（公告）日：2008-01-31

  The subject invention provides anticoagulant compounds of formula I: and pharmaceutically acceptable salts thereof, wherein R 1 , R 3 , n and Ar are as defined herein. The compounds of the subject invention can be used to treat at-risk populations thereby bringing relief of symptoms, improving the quality of life, preventing acute and long-term complications, reducing mortality and treating accompanying disorders. The invention further comprises pharmaceutical compositions comprising the compounds and salts of the invention, as well as methods of using the compounds, salts, and compositions of the invention.

  本发明提供了公式I的抗凝剂化合物及其药学上可接受的盐，其中R1、R3、n和Ar的定义如本文所述。本发明的化合物可用于治疗处于风险中的人群，从而缓解症状、改善生活质量、预防急性和长期并发症、降低死亡率和治疗伴随疾病。本发明还包括包含该化合物和该发明的盐的制药组合物，以及使用该化合物、盐和组合物的方法。
• Haloalkyl ester derivatives of coumarin for the treatment of coagulation disorders
  申请人：ARYx Therapeutics, Inc.

  公开号：US07666902B2

  公开（公告）日：2010-02-23

  The subject invention provides anticoagulant compounds of formula I: and pharmaceutically acceptable salts thereof, wherein R1, R3, n and Ar are as defined herein. The compounds of the subject invention can be used to treat at-risk populations thereby bringing relief of symptoms, improving the quality of life, preventing acute and long-term complications, reducing mortality and treating accompanying disorders. The invention further comprises pharmaceutical compositions comprising the compounds and salts of the invention, as well as methods of using the compounds, salts, and compositions of the invention.

  本发明提供了公式I的抗凝剂化合物及其药学上可接受的盐，其中R1、R3、n和Ar如本文所定义。该发明的化合物可用于治疗高危人群，从而缓解症状，改善生活质量，预防急性和长期并发症，降低死亡率并治疗伴随疾病。本发明还包括包含该发明化合物和盐的药物组合物，以及使用该发明化合物、盐和组合物的方法。