ethyl 4-(1-(benzyloxy)-5-(biphenyl-3-yl)-1H-pyrazol-4-yl)piperidine-1-carboxylate | 1221275-01-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 4-(1-(benzyloxy)-5-(biphenyl-3-yl)-1H-pyrazol-4-yl)piperidine-1-carboxylate
• 英文别名: Ethyl 4-[1-phenylmethoxy-5-(3-phenylphenyl)pyrazol-4-yl]piperidine-1-carboxylate
• CAS: 1221275-01-9
• 化学式: C₃₀H₃₁N₃O₃
• 分子量: 481.594
• InChiKey: CJBOXBWTPHEXDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  56.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 4-(1-(benzyloxy)-5-(biphenyl-3-yl)-1H-pyrazol-4-yl)piperidine-1-carboxylate 在 盐酸 作用下， 以 水 为溶剂， 反应 1.0h， 以78%的产率得到4-(5-(biphenyl-3-yl)-1-hydroxy-1H-pyrazol-4-yl)piperidine hydrochloride
  参考文献：
  名称：

  Novel 4-(Piperidin-4-yl)-1-hydroxypyrazoles as γ-Aminobutyric Acid_A Receptor Ligands: Synthesis, Pharmacology, and Structure−Activity Relationships

  摘要：

  A series of substituted 1-hydroxypyrazole analogues of the GABA(A) receptor partial agonist 5-(4-piperidyl)-3-isoxazolol (4-PIOL) have been synthesized and pharmacologically characterized. Several of the analogues displayed K-i in the low nanomolar range at the native GABAA receptors and potent antagonism of the alpha(1)beta(2)gamma(2) receptor. It appears that several regions situated in proximity to the core of the orthosteric binding site of the GABA(A) receptor are able to accommodate large hydrophobic substituents.

  DOI：

  10.1021/jm100106r
• 作为产物：
  描述：

  Ethyl 4-hydroxy-4-(1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate 在 三乙基硅烷 、 bis-triphenylphosphine-palladium(II) chloride 、 potassium carbonate 、 三氟乙酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.33h， 生成 ethyl 4-(1-(benzyloxy)-5-(biphenyl-3-yl)-1H-pyrazol-4-yl)piperidine-1-carboxylate
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR PRESERVING AND/OR RESTORING NEURAL FUNCTION
  [FR] COMPOSITIONS ET PROCÉDÉS DE PRÉSERVATION ET/OU DE RESTAURATION DE LA FONCTION NEURALE

  摘要：

  Provided herein are compounds of Formula I and pharmaceutically acceptable salts and compositions thereof. The compounds of the invention are useful for inhibiting 5-subunit- containing y-aminobutyric acid receptors (SGABAARS). Also disclosed herein are methods of using the compounds of the invention to decrease tonic inhibition in a neurons, treating or preventing brain or spinal cord damage (such as, for example, those caused by trauma, stroke, or neurodegenerative disease), and improving functional recovery after stroke.

  公开号：

  WO2023086603A1