piperazin-1-yl(1H-pyrazol-1-yl)methanone | 1442474-33-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: piperazin-1-yl(1H-pyrazol-1-yl)methanone
• 英文别名: 1-Piperazinyl-1H-pyrazol-1-ylmethanone；piperazin-1-yl(pyrazol-1-yl)methanone
• CAS: 1442474-33-0
• 化学式: C₈H₁₂N₄O
• 分子量: 180.209
• InChiKey: RHCFFEKHIHZAQG-UHFFFAOYSA-N

物化性质

• 沸点：
  331.8±52.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  piperazin-1-yl(1H-pyrazol-1-yl)methanone 、 溴甲苯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以38%的产率得到(4-benzylpiperazin-1-yl)(1H-pyrazol-1-yl)methanone
  参考文献：
  名称：

  Discovery libraries targeting the major enzyme classes: The serine hydrolases

  摘要：

  Two libraries of modestly reactive ureas containing either electron-deficient acyl anilines or acyl pyrazoles were prepared and are reported as screening libraries for candidate serine hydrolase inhibitors. Within each library is a small but powerful subset of compounds that serve as a chemotype fragment screening library capable of subsequent structural diversification. Elaboration of the pyrazole-based ureas provided remarkably potent irreversible inhibitors of fatty acid amide hydrolase (FAAH, apparent Ki=100-200 pM) complementary to those previously disclosed enlisting electron-deficient aniline-based ureas.

  DOI：

  10.1016/j.bmcl.2014.06.063
• 作为产物：
  描述：

  tert-butyl 4-(1H-pyrazole-1-carbonyl)piperazine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 2.0h， 以90%的产率得到piperazin-1-yl(1H-pyrazol-1-yl)methanone
  参考文献：
  名称：

  Discovery libraries targeting the major enzyme classes: The serine hydrolases

  摘要：

  Two libraries of modestly reactive ureas containing either electron-deficient acyl anilines or acyl pyrazoles were prepared and are reported as screening libraries for candidate serine hydrolase inhibitors. Within each library is a small but powerful subset of compounds that serve as a chemotype fragment screening library capable of subsequent structural diversification. Elaboration of the pyrazole-based ureas provided remarkably potent irreversible inhibitors of fatty acid amide hydrolase (FAAH, apparent Ki=100-200 pM) complementary to those previously disclosed enlisting electron-deficient aniline-based ureas.

  DOI：

  10.1016/j.bmcl.2014.06.063

文献信息

• Pyrazole compounds and methods of making and using same
  申请人：ABIDE THERAPEUTICS, INC.

  公开号：US10093630B2

  公开（公告）日：2018-10-09

  Provided herein are pyrazole compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful as modulators of one or more of MAGL, ABHD6, and FAAH. Furthermore, the subject compounds and compositions are useful for the treatment of, for example, pain, solid tumors and/or obesity.

  本文提供了吡唑化合物和包含所述化合物的药物组合物。所述化合物和组合物可用作 MAGL、ABHD6 和 FAAH 中一种或多种的调节剂。此外，所述化合物和组合物还可用于治疗疼痛、实体瘤和/或肥胖症等。
• POLY (ADP-RIBOSE) POLYMERASE INHIBITOR
  申请人：Chengdu Di'ao Pharmaceutical Group Co., Ltd.

  公开号：EP2799435B1

  公开（公告）日：2018-03-28
• PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME
  申请人：ABIDE THERAPEUTICS, INC.

  公开号：US20170190669A1

  公开（公告）日：2017-07-06

  Provided herein are pyrazole compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful as modulators of one or more of MAGL, ABHD6, and FAAH. Furthermore, the subject compounds and compositions are useful for the treatment of, for example, pain, solid tumors and/or obesity.
• US9187430B2
  申请人：——

  公开号：US9187430B2

  公开（公告）日：2015-11-17
• [EN] INHIBITION OF TUMOUR GROWTH AND METASTASES<br/>[FR] INHIBITION DE LA CROISSANCE TUMORALE ET DE MÉTASTASES
  申请人：CENTRE NAT RECH SCIENT

  公开号：WO2010001258A2

  公开（公告）日：2010-01-07

  The instant invention relates to compounds of formula 1 and their applications as an anti-cancer agent and/or as an angiogenesis inhibitor in mammals, preferably in humans; the instant invention also includes a method of treatment of metastases of prostate cancers using said compound and also a method of treatment of conditions in which angiogenesis must be inhibited. Said compound of formula 1 wherein R1 is a C1-C6 alkyl group, substituted or not, linear or branched and R2 represents a halogen atom, is useful for treating solid cancers or preventing metastases of solid cancers, said solid cancers being selected in the group consisting of lung cancer, glioma and prostate cancer.