1-乙基-4-硝基-3-丙基-1H-吡唑-5-羧酸 | 139756-17-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-乙基-4-硝基-3-丙基-1H-吡唑-5-羧酸
• 英文名称: 1-ethyl-4-nitro-3-propyl-1H-pyrazol-5-ylcarboxylic acid
• 英文别名: 1-ethyl-4-nitro-3-n-propylpyrazole-5-carboxylic acid；1-Ethyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylic acid；2-ethyl-4-nitro-5-propylpyrazole-3-carboxylic acid
• CAS: 139756-17-5
• 化学式: C₉H₁₃N₃O₄
• 分子量: 227.22
• InChiKey: HKDQYTGOBJQNDQ-UHFFFAOYSA-N

物化性质

• 沸点：
  399.0±42.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  1-乙基-4-硝基-3-丙基-1H-吡唑-5-羧酸 以86%的产率得到1-ethyl-4-nitro-3-propyl-1H-5-pyrazolecarboxamide
  参考文献：
  名称：

  Method of treating a patient having precancerous lesions with phenyl purinone derivatives

  摘要：

  苯基嘌呤酮衍生物对于治疗患有癌前病变的患者非常有用。这些化合物还可用于抑制肿瘤细胞的生长。

  公开号：

  US06200980B1
• 作为产物：
  描述：

  1-ethyl-3-propyl-1H-pyrazol-5-ylcarboxylic acid 以96%的产率得到1-乙基-4-硝基-3-丙基-1H-吡唑-5-羧酸
  参考文献：
  名称：

  Method of treating a patient having precancerous lesions with phenyl purinone derivatives

  摘要：

  苯基嘌呤酮衍生物对于治疗患有癌前病变的患者非常有用。这些化合物还可用于抑制肿瘤细胞的生长。

  公开号：

  US06200980B1

文献信息

• Pyrazolopyrimidinone antianginal agents
  申请人：Pfizer Inc.

  公开号：US05250534A1

  公开（公告）日：1993-10-05

  Compounds of the formula: ##STR1## wherein R.sup.1 is H, C.sub.1 -C.sub.3 alkyl, C.sub.3 -C.sub.5 cycloalkyl or C.sub.1 -C.sub.3 perfluoroalkyl; R.sup.2 is H, C.sub.1 -C.sub.6 alkyl optionally substituted by OH, C.sub.1 -C.sub.3 alkoxy or C.sub.3 -C.sub.6 cycloalkyl, or C.sub.1 -C.sub.3 perfluoroalkyl; R.sup.3 is C.sub.1 -C.sub.6 alkyl, C.sub.3 -C.sub.6 alkenyl, C.sub.3 -C.sub.6 alkynyl, C.sub.3 -C.sub.7 cycloalkyl, C.sub.1 -C.sub.6 perfluoroalkyl or (C.sub.3 -C.sub.6 cycloalkyl)C.sub.1 -C.sub.6 alkyl; R.sup.4 taken together with the nitrogen atom to which it is attached completes a pyrrolidinyl, piperidino, morpholino, or 4-N-(R.sup.6)-piperazinyl group; R.sup.5 is H, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.3 alkoxy, NR.sup.7 R.sup.8, or CONR.sup.7 R.sup.8 ; R.sup.6 is H, C.sub.1 -C.sub.6 alkyl, (C.sub.1 -C.sub.3 alkoxy) C.sub.2 - C.sub.6 alkyl, hydroxy C.sub.2 -C.sub.6 alkyl, (R.sup.7 R.sup.8 N)C.sub.2 -C.sub.6 alkyl, (R.sup.7 R.sup.8 NCO)C.sub.1 -C.sub.6 alkyl, CONR.sup.7 R.sup.8, CSNR.sup.7 R.sup.8 or C(NH)NR.sup.7 R.sup.8 ; R.sup.7 and R.sup.8 are each independently H, C.sub.1 -C.sub.4 alkyl, (C.sub.1 -C.sub.3 alkoxy)C.sub.2 -C.sub.4 alkyl or hydroxy C.sub.2 -C.sub.4 alkyl; and pharmaceutically acceptable salts thereof, are selective cGMP PDE inhibitors useful in the treatment of cardiovascular disorders such as angina, hypertension, heart failure and atherosclerosis.

  该化合物的结构式为：##STR1## 其中R.sup.1为H，C.sub.1 -C.sub.3烷基，C.sub.3 -C.sub.5环烷基或C.sub.1 -C.sub.3全氟烷基；R.sup.2为H，C.sub.1 -C.sub.6烷基，可以选择性地被OH，C.sub.1 -C.sub.3烷氧基或C.sub.3 -C.sub.6环烷基，或C.sub.1 -C.sub.3全氟烷基取代；R.sup.3为C.sub.1 -C.sub.6烷基，C.sub.3 -C.sub.6烯基，C.sub.3 -C.sub.6炔基，C.sub.3 -C.sub.7环烷基，C.sub.1 -C.sub.6全氟烷基或(C.sub.3 -C.sub.6环烷基)C.sub.1 -C.sub.6烷基；R.sup.4与其连接的氮原子一起形成吡咯啉基、哌啶基、吗啉基或4-N-(R.sup.6)-哌嗪基；R.sup.5为H，C.sub.1 -C.sub.4烷基，C.sub.1 -C.sub.3烷氧基，NR.sup.7 R.sup.8，或CONR.sup.7 R.sup.8；R.sup.6为H，C.sub.1 -C.sub.6烷基，(C.sub.1 -C.sub.3烷氧基)C.sub.2 - C.sub.6烷基，羟基C.sub.2 -C.sub.6烷基，(R.sup.7 R.sup.8 N)C.sub.2 -C.sub.6烷基，(R.sup.7 R.sup.8 NCO)C.sub.1 -C.sub.6烷基，CONR.sup.7 R.sup.8，CSNR.sup.7 R.sup.8或C(NH)NR.sup.7 R.sup.8；R.sup.7和R.sup.8各自独立地为H，C.sub.1 -C.sub.4烷基，(C.sub.1 -C.sub.3烷氧基)C.sub.2 -C.sub.4烷基或羟基C.sub.2 -C.sub.4烷基；以及其药学上可接受的盐，是用于治疗心血管疾病如心绞痛、高血压、心力衰竭和动脉粥样硬化的选择性cGMP PDE抑制剂。
• A new entry to pyrazolo[4,3-<i>e</i>][1,4]diazepines. Facile synthesis of pyrazolo [4,3-<i>e</i>][1,4]diazepin-5,8-diones, 5,6,8-triones and pyrazolo[4,3-<i>e</i>]pyrrolo-[1,2-<i>a</i>][1,4]diazepin-5,10-diones
  作者：Nalla Ram Reddy、Ghanta Mahesh Reddy、Padi Pratap Reddy

  DOI：10.1002/jhet.5570420429

  日期：2005.5

  A facile approach to pyrazolo[4,3-e][1,4]diazepin-5,8-diones and pyrazolo[4,3-e]pyrrolo[1,2-a][1,4]-diazepin-5,10-diones is reported. Strategy involved the utility of α-amino acid as a three-atom segment in the construction of diazepine skeleton on the preformed pyrazole ring.

  吡唑并[4,3- e ] [1,4] diazepin-5,8-diones和吡唑并[4,3- e ] pyrrolo [1,2- a ] [1,4] -diazepin-5的简便方法据报道，有10-二酮。策略涉及在预先形成的吡唑环上构建二氮杂skeleton骨架时，将α-氨基酸用作三个原子的片段。
• Fibrate Compounds Having Ppar Agonist Activity
  申请人：Das Saibal Kumar

  公开号：US20080114005A1

  公开（公告）日：2008-05-15

  There are provided derivatives having PPAR agonist activity. The derivatives include compounds and/or their pharmaceutically acceptable salts; the compounds having the formula (I) wherein A has the structure (II) or (III); X is chosen from —CH 2 —, —O—, —NH—, and —S—; Y is chosen from —O—, —NH—, and —S—; Z, which may be located in any position of substitution, is hydrogen or halogen; R 1 and R 2 , which may be the same or different, are independently chosen from hydrogen and C 1 -C 8 alkyl, or R 1 and R 2 together form a carbocyclic ring having from 4 to 6 carbon atoms; R 3 is chosen from hydrogen and C 1 -C 8 alkyl; R 4 , R 5 , and R 6 , which may be the same or different, are independently chosen from hydrogen and C 1 -C 8 alkyl; and n is 1 to 6. Various embodiments and variants are provided. In accordance with other aspects, the invention also provides methods of producing a PPARα agonist activity in a mammal, the methods including administering to the mammal an effective amount of certain derivative(s) of the first aspect of the invention, a method of producing a PPARα agonist activity and a PPARα agonist activity in a mammal, the method including administering to the mammal an effective amount of certain derivative(s); and a pharmaceutical composition that includes the derivative(s) of the first aspect of the invention and one or more pharmaceutically-acceptable excipients. Various embodiments and variants are provided.

  提供了具有PPAR激动剂活性的衍生物。这些衍生物包括化合物和/或其药学上可接受的盐；其中化合物具有公式（I），其中A具有结构（II）或（III）；X选择自—CH2—，—O—，—NH—和—S—；Y选择自—O—，—NH—和—S—；Z可以位于任何取代位置，是氢或卤素；R1和R2，可以相同也可以不同，独立地选择自氢和C1-C8烷基，或者R1和R2共同形成具有4到6个碳原子的碳环；R3选择自氢和C1-C8烷基；R4，R5和R6，可以相同也可以不同，独立地选择自氢和C1-C8烷基；n为1到6。提供了各种实施例和变体。根据其他方面，本发明还提供在哺乳动物中产生PPARα激动剂活性的方法，该方法包括向哺乳动物投与某些第一方面的衍生物的有效量，一种产生PPARα激动剂活性的方法和在哺乳动物中的PPARα激动剂活性，该方法包括向哺乳动物投与某些衍生物的有效量；以及包括第一方面的衍生物和一个或多个药学上可接受的辅料的药物组合物。提供了各种实施例和变体。
• [EN] FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY<br/>[FR] COMPOSES DE FIBRATE POSSEDANT UNE ACTIVITE AGONISTE PPAR
  申请人：REDDYS LAB LTD DR

  公开号：WO2006029075A3

  公开（公告）日：2007-07-12
• EP1793828A4
  申请人：——

  公开号：EP1793828A4

  公开（公告）日：2009-09-02