4-(5-氯-2-羟基苯基)-4-氧代丁酸 | 62903-23-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-(5-氯-2-羟基苯基)-4-氧代丁酸
• 英文名称: 4-(5-Chloro-2-hydroxyphenyl)-4-oxobutanoic Acid
• 英文别名: 2'-hydroxy-5'-chloro-3-benzoyl-propionic acid；4-(5-chloro-2-hydroxy-phenyl)-4-oxo-butyric acid；4-(5-Chlor-2-hydroxy-phenyl)-4-oxo-buttersaeure；3-(5-chloro-2-hydroxybenzoyl)propionic acid；β-<5-Chlor-2-hydroxy-benzoyl>-propionsaeure
• CAS: 62903-23-5
• 化学式: C₁₀H₉ClO₄
• 分子量: 228.632
• InChiKey: YBSVOTYKOZVOIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  4-(5-氯-2-羟基苯基)-4-氧代丁酸 在 sodium hydroxide 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 9-chloro-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-3-one
  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-氯苯甲醚 在 三氯化铝 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 4-(5-氯-2-羟基苯基)-4-氧代丁酸
  参考文献：
  名称：

  Methods of using piperazine derivatives

  摘要：

  本发明涉及公式I1的化合物及其药学上可接受的形式；其中X、Y、a、b、c、d、R1、R2、R3、R4和R5如本文所定义。此外，本发明还涉及包含公式I的化合物和药学上可接受的载体的药物组合物。此外，本发明还涉及使用本文所述的化合物和组合物治疗或预防哺乳动物中可通过拮抗CCR1受体治疗或预防的疾病或状况的方法。

  公开号：

  US20040092529A1

文献信息

• Pyridazinethiones
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04111936A1

  公开（公告）日：1978-09-05

  Substituted phenyl pyridazinethiones which are useful intermediates in the preparation of substituted phenylhydrazinopyridazines which have .beta.-adrenergic blocking and vasodilator activity.

  取代苯基吡啶硫酮是制备取代苯基肼吡啶类化合物的有用中间体，这些化合物具有β-肾上腺素能受体阻滞和血管扩张活性。
• 2-Aminomethyl-3,4-dihydronaphthalenes
  申请人：Pfizer Inc.

  公开号：US04022791A1

  公开（公告）日：1977-05-10

  Compounds of the formula ##STR1## and pharmaceutically acceptable salts thereof, wherein X and Y are independently H, F, Cl, Br, alkyl having up to four carbons, or alkoxy having up to four carbons, but X and Y are not both H, and Z is a secondary or tertiary amino group, are useful as analgesics and tranquillizing agents for mammals.

  式为##STR1##的化合物及其药学上可接受的盐，其中X和Y分别为H、F、Cl、Br、具有最多四个碳的烷基或具有最多四个碳的烷氧基，但X和Y不能同时为H，Z为二级或三级氨基团，可用作哺乳动物的镇痛剂和镇静剂。
• Novel piperazine derivatives
  申请人：——

  公开号：US20040034034A1

  公开（公告）日：2004-02-19

  The present invention relates to compounds of the formula I 1 and the pharmaceutically acceptable forms thereof; wherein X, Y, a, b, c, d, R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein. Moreover, the present invention is also directed at pharmaceutical compositions comprising a compound of the formula I and a pharmaceutically acceptable carrier. Furthermore, the present invention is directed at methods of using the herein described compounds and compositions for treating or preventing a disorder or condition that can be treated or prevented by antagonizing the CCR1 receptor in a mammal.

  本发明涉及公式I1的化合物及其药学上可接受的形式；其中X、Y、a、b、c、d、R1、R2、R3、R4和R5的定义如本文所述。此外，本发明还涉及包含公式I的化合物和药学上可接受的载体的制药组合物。此外，本发明还涉及使用上述化合物和组合物治疗或预防哺乳动物中可以通过拮抗CCR1受体来治疗或预防的疾病或症状的方法。
• Piperazine derivatives
  申请人：——

  公开号：US07098212B2

  公开（公告）日：2006-08-29

  The present invention relates to compounds of the formula I and the pharmaceutically acceptable forms thereof; wherein X, Y, a, b, c, d, R1, R2, R3, R4 and R5 are as defined herein. Moreover, the present invention is also directed at pharmaceutical compositions comprising a compound of the formula I and a pharmaceutically acceptable carrier. Furthermore, the present invention is directed at methods of using the herein described compounds and compositions for treating or preventing a disorder or condition that can be treated or prevented by antagonizing the CCR1 receptor in a mammal.

  本发明涉及公式I及其药学上可接受的形式的化合物；其中X、Y、a、b、c、d、R1、R2、R3、R4和R5如本文所定义。此外，本发明还涉及包含公式I化合物和药学上可接受的载体的制药组合物。此外，本发明还涉及使用所述化合物和组合物治疗或预防哺乳动物中可通过拮抗CCR1受体治疗或预防的疾病或病症的方法。
• Photochemische und Aluminiumchlorid-katalysierte Friessche Umlagerung von Bernsteins�uremonoarylestern. Synthese von 2(3H)-Furanonen
  作者：Luis Fillol、Roberto Mart�nez-Utrilla、Miguel A. Miranda、Isabel M. Morera

  DOI：10.1007/bf00811125

  日期：1989.10