4-ethoxycarbonyl-5-hydroxymethyl-3-methylpyrazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-ethoxycarbonyl-5-hydroxymethyl-3-methylpyrazole
• 英文别名: ethyl 5-(hydroxymethyl)-3-methyl-1H-pyrazole-4-carboxylate；ethyl 3-hydroxymethyl-5-methyl-1H-pyrazole-4-carboxylate；ethyl 3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-carboxylate
• 化学式: C₈H₁₂N₂O₃
• 分子量: 184.195
• InChiKey: BJIQFMGPPXKILA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  75.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-ethoxycarbonyl-5-hydroxymethyl-3-methylpyrazole 在 三溴化磷 、 potassium carbonate 作用下， 以 环己酮 、 甲苯 为溶剂， 反应 4.0h， 生成 1-benzyl-5-bromomethyl-4-ethoxycarbonyl-3-methylpyrazol
  参考文献：
  名称：

  Deshayes, Christian; Chabannet, Michel; Gelin, Suzanne, Journal of Heterocyclic Chemistry, 1981, vol. 18, p. 1057 - 1059

  摘要：

  DOI：

文献信息

• AMIDE COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2518054A1

  公开（公告）日：2012-10-31

  A compound represented by the formula (I) wherein ring Cy1 is a 5-membered aromatic heterocycle optionally further substituted besides a group represented by -A-B, ring Cy2 is an optionally substituted benzene ring, ring Cy3 is an optionally substituted 5-membered aromatic heterocycle, ring Cy4 is an optionally substituted 6-membered aromatic ring, A is -CONRa- or -NRaCO-, Ra is a hydrogen atom or a substituent, B is a hydrogen atom or an optionally substituted C1-6 alkyl-group, X is an optionally substituted C1-2 alkylene, -Y-, -Y-CH2- or - CH2-Y-, Y is an oxygen atom, -NRb- or -S(O)m-, Rb is a hydrogen atom or a substituent, and m is 0, 1 or 2, provided that N-methyl-4-[2-[3,4,5-trimethoxyphenyl)amino]-1,3-benzoxazol-7-yl]thiophene-2-carboxamide is excluded, or a salt thereof, has an agonistic action on GPR52, and is useful as an agent for the prophylaxis or treatment of schizophrenia and the like.

  化合物的化学式为（I），其中环Cy1是一个5-成员芳香杂环，除了由-A-B表示的基团外，还可以进一步取代，环Cy2是一个可选取代的苯环，环Cy3是一个可选取代的5-成员芳香杂环，环Cy4是一个可选取代的6-成员芳香环，A是 -CONRa- 或 -NRaCO-，Ra是氢原子或取代基，B是氢原子或可选取代的C1-6烷基，X是可选取代的C1-2烷基，-Y-，-Y-CH2- 或 - CH2-Y-，Y是氧原子，-NRb- 或 -S(O)m-，Rb是氢原子或取代基，m为0、1或2，提供N-甲基-4-[2-[3,4,5-三甲氧基苯基)氨基]-1,3-苯并噁唑-7-基]噻吩-2-羧酰胺被排除，或其盐，对GPR52有激动作用，并且可用作预防或治疗精神分裂症等疾病的药物。
• Benzimidazoles
  申请人：Edwards L. Michael

  公开号：US20060014756A1

  公开（公告）日：2006-01-19

  The invention is directed to physiologically active compounds of the general formula (Ix) and compositions containing such compounds, and their prodrugs, and pharmaceutically acceptable salts and solvates of such compounds and their prodrugs, as well as to novel compounds within the scope of formula (Ix), and to processes for their preparation. Such compounds and compositions have valuable pharmaceutical properties, in particular the ability to inhibit kinases.

  本发明涉及一般式（Ix）的生理活性化合物及含有这种化合物的组合物，以及它们的前药、药学上可接受的盐和溶剂化物，还涉及在式（Ix）范围内的新化合物和它们的制备方法。这种化合物和组合物具有有价值的药物性质，特别是抑制激酶的能力。
• Heterocyclic compounds having antifungal activity
  申请人：Kawakami Katsuhiro

  公开号：US20070191395A1

  公开（公告）日：2007-08-16

  A compound which can specifically or selectively expresses an antifungal activity with a broad spectrum, based on the functional mechanism of 1,6-β-glucan synthesis inhibition, is provided, and an antifungal agent which comprises such a compound, a salt thereof or a solvate thereof is provided. A compound represented by the following formula (I), a salt thereof or a solvate thereof.

  提供一种化合物，基于 1,6-β-葡聚糖合成抑制的功能机制，可以特异性或选择性地表达广谱的抗真菌活性，并提供一种包含该化合物、其盐或溶剂化物的抗真菌剂。化合物的结构式如下（I），其盐或溶剂化物。
• FUNGICIDAL HETEROCYCLIC COMPOUNDS
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1717238A1

  公开（公告）日：2006-11-02

  A compound which can specifically or selectively expresses an antifungal activity with a broad spectrum, based on the functional mechanism of 1,6-β-glucan synthesis inhibition, is provided, and an antifungal agent which comprises such a compound, a salt thereof or a solvate thereof is provided. A compound represented by the following formula (I), a salt thereof or a solvate thereof.

  本发明提供了一种基于抑制 1，6-β-葡聚糖合成的功能机理，能特异性或选择性地表达广谱抗真菌活性的化合物，并提供了一种包含这种化合物、其盐或其溶液的抗真菌剂。由下式（I）代表的化合物、其盐或其溶液。
• EP1717238
  申请人：——

  公开号：——

  公开（公告）日：——