4-(1-Methyl-1H-pyrazol-4-yl)cyclohexan-1-one | 1231258-34-6

• 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-(1-Methyl-1H-pyrazol-4-yl)cyclohexan-1-one
• 英文别名: 4-(1-methylpyrazol-4-yl)cyclohexan-1-one
• CAS: 1231258-34-6
• 化学式: C₁₀H₁₄N₂O
• 分子量: 178.234
• InChiKey: PPXSFYFHCAHJSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  氰基甲酸甲酯 、 4-(1-Methyl-1H-pyrazol-4-yl)cyclohexan-1-one 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 生成 methyl 5-(1-methyl-1H-pyrazol-4-yl)-2-oxocyclohexane-1-carboxylate
  参考文献：
  名称：

  Anthranilic acid replacements in a niacin receptor agonist

  摘要：

  Niacin is an effective drug for raising HDL cholesterol. However, niacin must be taken in large doses and significant side effects are often observed, including facial flushing, loss of glucose tolerance, and liver toxicity. An anthranilic acid was identified as an agonist of the niacin receptor. In order to improve efficacy and provide structural diversity, replacements for the anthranilic acid were investigated and several compounds with improved properties were identified. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.001

文献信息

• [EN] INDOLEAMINE2,3-DIOXYGENASE INHIBITORS AND USES THEREOF IN PHARMACY<br/>[FR] INHIBITEURS INDOAMINE2, 3-DIOXYGÉNASE ET LEURS UTILISATIONS EN PHARMACIE<br/>[ZH] 吲哚胺2，3-双加氧酶抑制剂及其在药学中的用途
  申请人：SUZHOU GUOKUANG PHARMTECH CO LTD

  公开号：WO2018028491A1

  公开（公告）日：2018-02-15

  一种或多种吲哚胺2，3-双加氧酶的抑制剂化合物，包含该化合物的药物组分及制剂，及这类吲哚胺2，3-双加氧酶抑制剂的用途，可单一用药或与其它药物联合用药，用来治疗与吲哚胺2，3-双加氧酶相关的症状。
• Anthranilic acid replacements in a niacin receptor agonist
  作者：Darby Schmidt、Abigail Smenton、Subharekha Raghavan、Hong Shen、Fa-Xiang Ding、Ester Carballo-Jane、Silvi Luell、Tanya Ciecko、Tom G. Holt、Michael Wolff、Andrew Taggart、Larissa Wilsie、Mihajlo Krsmanovic、Ning Ren、Daniel Blom、Kang Cheng、Peggy E. McCann、M.Gerard Waters、James Tata、Steven Colletti

  DOI：10.1016/j.bmcl.2010.04.001

  日期：2010.6

  Niacin is an effective drug for raising HDL cholesterol. However, niacin must be taken in large doses and significant side effects are often observed, including facial flushing, loss of glucose tolerance, and liver toxicity. An anthranilic acid was identified as an agonist of the niacin receptor. In order to improve efficacy and provide structural diversity, replacements for the anthranilic acid were investigated and several compounds with improved properties were identified. (C) 2010 Elsevier Ltd. All rights reserved.