5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile | 137470-09-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
• 英文别名: 5,7-dimethyl-2-phenyl-pyrazolo(1,5-a)pyrimidine-3-carbonitrile
• CAS: 137470-09-8
• 化学式: C₁₅H₁₂N₄
• 分子量: 248.287
• InChiKey: GGCOHGJDOGCAEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile 在 硫酸 、 sodium nitrite 作用下， 反应 1.5h， 生成 5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
  参考文献：
  名称：

  Insight into 2-phenylpyrazolo[1,5-a]pyrimidin-3-yl acetamides as peripheral benzodiazepine receptor ligands: Synthesis, biological evaluation and 3D-QSAR investigation

  摘要：

  The present paper reports the synthesis and binding studies of new 2-phenylpyrazolo[1,5-alpha]pyrimidin-3-yl acetamides as selective Peripheral Benzodiazepine Receptor (PBR) ligands. The variability of substituents at the 3-position was investigated and a 3D-QSAR model was proposed to evaluate the effect of different substitutions on the acetamide moiety. In addition, a subset of the novel compounds showing high affinity for PBR was tested for their ability to modulate the steroid biosynthesis in C6 glioma cells. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.05.015
• 作为产物：
  描述：

  乙酰丙酮 、 3-氨基-5-苯基-1H-吡唑-4-甲腈 反应 5.0h， 以70%的产率得到5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
  参考文献：
  名称：

  Ghozlan, Pharmazie, 1991, vol. 46, # 5, p. 352 - 353

  摘要：

  DOI：

文献信息

• Pyrazolopyrimidine and pyrimidinyl bisphosphonic esters as
  申请人：The Upjohn Company

  公开号：US05397774A1

  公开（公告）日：1995-03-14

  Compounds useful in the treatment of inflammation structurally represented as ##STR1## wherein X is O or S and the R groups are as herein defined. The compounds are useful as anti-inflammatory and anti-arthritic agents without inhibiting prostaglandin synthesis.

  在治疗炎症中有用的化合物结构表示为##STR1## 其中 X 是 O 或 S，R 基团如此处定义。这些化合物可用作抗炎和抗关节炎药物，而不抑制前列腺素合成。
• Pyrazolopyrimidine and pyrimidinyl bisphosphonic esters as anti-inflammatories
  申请人：THE UPJOHN COMPANY

  公开号：EP0521622A1

  公开（公告）日：1993-01-07

  Compounds useful in the treatment of inflammation structurally represented as wherein X is O or S and the R groups are as herein defined. The compounds are useful as anti-inflammatory and anti-arthritic agents without inhibiting prostaglandin synthesis.

  有助于治疗炎症的化合物，其结构形式为 其中 X 是 O 或 S，R 基团如本文所定义。这些化合物可用作抗炎和抗关节炎药物，但不会抑制前列腺素的合成。
• New Anti-Inflammatory/Anti-Arthritic Heterocyclic Bisphosphonates
  作者：Richard Nugent、Colin Dunn、Nigel Staite、Michael Murphy、Stephen Schlachter、Danielle Aspar、Sharon Shields、Louise Galinet

  DOI：10.1080/10426509608545132

  日期：——
• PYRAZOLOPYRIMIDINE AND PYRIMIDINYL BISPHOSPHONIC ESTERS AS ANTI-INFLAMMATORIES
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP0593575B1

  公开（公告）日：1997-05-07
• US5397774A
  申请人：——

  公开号：US5397774A

  公开（公告）日：1995-03-14