2'-hydroxy-4',5'-dimethoxy-3-benzoyl-propionic acid | 41827-12-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2'-hydroxy-4',5'-dimethoxy-3-benzoyl-propionic acid
• 英文别名: 3-(2-Oxy-4,5-dimethoxybenzoyl)-propionsaeure；4-(2-Hydroxy-4,5-dimethoxyphenyl)-4-oxobutanoic acid
• CAS: 41827-12-7
• 化学式: C₁₂H₁₄O₆
• 分子量: 254.24
• InChiKey: GJWRJEMLJOEDFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2'-hydroxy-4',5'-dimethoxy-3-benzoyl-propionic acid 在 sodium hydroxide 作用下， 反应 9.0h， 生成 3,4-dihydro-6,7-dimethoxy-4-oxo-2H-1-benzopyrane-3-acetic acid
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of 4,4a-dihydro-5H-[1]benzopyrano[4,3-c]pyridazin-3(2H)-ones bioisosters of antihypertensive and antithrombotic benzo[h]cinnolinones

  摘要：

  A series of 4,4a-dihydro-5H-[1]benzopyrano[4,3-c]pyridazin-3-(2H)-ones (2a-h), have been prepared and evaluated for their pharmacological profile as antihypertensive and antithrombotic agents. Compounds 2 were ineffective in lowering the blood pressure of spontaneously hypertensive rats (SHR), only 2c (R1 = NHCOCH3) showing a short lasting action (< 2 h). Compounds 2c and 2b (R1 = NH2) were found to be very active as antithrombotic agents in mice, being more potent than acetylsalicylic acid (ASA) taken as reference drug. Moreover, many derivatives of this class protected rats from formation of ASA or phenylbutazone (PBZ) induced ulcers, the most active being 2f (R2 = OCH3) (ED50 = 12.2 mg/kg and 25.4 mg/kg po in ASA and PBZ models, respectively).

  DOI：

  10.1016/0223-5234(90)90194-8
• 作为产物：
  描述：

  4-氧代-4-(2,4,5-三甲氧基苯基)丁酸 在 甲酸 、 potassium iodide 作用下， 生成 2'-hydroxy-4',5'-dimethoxy-3-benzoyl-propionic acid
  参考文献：
  名称：

  Murata; Satoh; Nohara, European Journal of Medicinal Chemistry, 1977, vol. 12, # 1, p. 17 - 20

  摘要：

  DOI：

文献信息

• [EN] MACROLIDE ANTIBIOTICS<br/>[FR] ANTIBIOTIQUES A BASE DE MACROLIDES
  申请人：GLAXO GROUP LTD

  公开号：WO2002050091A1

  公开（公告）日：2002-06-27

  The present invention relates to 11,12 η lactone ketolides of formula (I) wherein R, R?1, R2, R3¿ are as defined herein and pharmaceutically acceptable salts and solvates thereof, to process for their preparation and their use in therapy or prophylaxis of systemic or topical bacterial infections in a human or animal body.

  本发明涉及式（I）的11,12-η内酯酮类化合物，其中R，R?1，R2，R3¿如本文所定义，并且其药学上可接受的盐和溶剂合物，以及其制备过程和在治疗或预防人类或动物体内的全身性或局部细菌感染中的应用。
• Macrolide antibiotics
  申请人：——

  公开号：US20040077557A1

  公开（公告）日：2004-04-22

  The present invention relates to 11,12 &ggr; lactone ketolides of formula (I) wherein R, R 1 , R 2 , R 3 are as defined herein and pharmaceutically acceptable salts and solvates thereof, to process for their preparation and their use in therapy or prophylaxis of systemic or topical bacterial infections in a human or animal body.

  本发明涉及公式（I）中的11,12 &ggr;内酯酮类化合物，其中R、R1、R2、R3如本文所定义的，以及其药学上可接受的盐和溶剂化物，以及它们的制备方法及在人或动物体内治疗或预防全身或局部细菌感染中的应用。
• Macrolide Antibiotics
  申请人：ALIHODZIC Sulejman

  公开号：US20060211636A1

  公开（公告）日：2006-09-21

  The present invention relates to 11,12 γ lactone ketolides of formula (I) wherein R, R 1 , R 2 , R 3 are as defined herein and pharmaceutically acceptable salts and solvates thereof, to process for their preparation and their use in therapy or prophylaxis of systemic or topical bacterial infections in a human or animal body.

  本发明涉及式(I)的11,12-γ内酯酮类化合物，其中R、R1、R2、R3如定义所述，以及其药学上可接受的盐和溶剂化物，以及其制备方法和在人或动物体内治疗或预防系统性或局部细菌感染的用途。
• CIGNARELLA, G.;BARLOCCO, D.;CURZU, M. M.;PINNA, G. A.;CAZZULANI, P.;CASSI+, EUR. J. MED. CHEM., 25,(1990) N, C. 749-756
  作者：CIGNARELLA, G.、BARLOCCO, D.、CURZU, M. M.、PINNA, G. A.、CAZZULANI, P.、CASSI+

  DOI：——

  日期：——
• MURATA TADAKAZU; SATOH HIROSHI; NOHARA AKIRA; UKAWA KIYOSHI; SUGIHARA HIR+, EUR. J. MED. CHEM., 1977, 12, NO 1, 17-20
  作者：MURATA TADAKAZU、 SATOH HIROSHI、 NOHARA AKIRA、 UKAWA KIYOSHI、 SUGIHARA HIR+

  DOI：——

  日期：——