N-(金刚烷-2-基)-3-氧代丁酰胺 | 63664-40-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: N-(金刚烷-2-基)-3-氧代丁酰胺
• 英文名称: N-(2-adamantyl)-3-oxobutanamide
• 英文别名: N-(2-adamantyl)-3-butanamide；N-2-Adamantyl-3-oxobutanamide
• CAS: 63664-40-4
• 化学式: C₁₄H₂₁NO₂
• mdl: MFCD02215652
• 分子量: 235.326
• InChiKey: UGKQVLQBJHXWNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(金刚烷-2-基)-3-氧代丁酰胺 在 溶剂黄146 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 5.0h， 生成 N-(2-adamantyl)-1-(4-cyanophenyl)-5-methyl-pyrazole-4-carboxamide
  参考文献：
  名称：

  Novel Acidic 11β-Hydroxysteroid Dehydrogenase Type 1 (11β-HSD1) Inhibitor with Reduced Acyl Glucuronide Liability: The Discovery of 4-[4-(2-Adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic Acid (AZD8329)

  摘要：

  Inhibition of 11 beta-HSD1 is viewed as a potential target for the treatment of obesity and other elements of the metabolic syndrome. We report here the optimization of a carboxylic acid class of inhibitors from AZD4017 (1) to the development candidate AZD8329 (27). A structural change from pyridine to pyrazole together with structural optimization led to an improved technical profile in terms of both solubility and pharmacokinetics. The extent of acyl glucuronidation was reduced through structural optimization of both the carboxylic acid and amide substituents, coupled with a reduction in lipophilicity leading to an overall increase in metabolic stability.

  DOI：

  10.1021/jm301252n
• 作为产物：
  描述：

  双乙烯酮 、 2-金刚烷胺盐酸盐 在 sodium hydroxide 作用下， 生成 N-(金刚烷-2-基)-3-氧代丁酰胺
  参考文献：
  名称：

  一些新的N-（3-甲基-2-喹喔啉基）氨基醇和胺1,4-二氧化物的合成及抑菌活性

  摘要：

  DOI：

  10.1021/je00036a039

文献信息

• SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281
  申请人：GILL Adrian Liam

  公开号：US20090264401A1

  公开（公告）日：2009-10-22

  A compound of formula (I): and pharmaceutically-acceptable salts thereof wherein the variable groups are defined within; their use in the inhibition of 11βHSD1, processes for making them and pharmaceutical compositions comprising them are also described.

  一种具有化学式（I）的化合物： 及其药用盐，其中变量基团在其中定义；还描述了它们在抑制11βHSD1中的应用，制备它们的方法以及包含它们的药物组合物。
• PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS
  申请人：Packer Martin John

  公开号：US20090221663A1

  公开（公告）日：2009-09-03

  A compound of Formula (I): and pharmaceutically-acceptable salts thereof wherein the variable groups are defined within; their use in the inhibition of 11βHSD1, processes for making them and pharmaceutical compositions comprising them are also described.

  公式（I）的化合物及其药学上可接受的盐，其中可变基团在其内部定义；还描述了它们在抑制11βHSD1方面的用途，制造它们的过程以及包含它们的制药组合物。
• Pyrazole Derivatives as 11-Beta-HSD1 Inhibitors
  申请人：Packer Martin John

  公开号：US20110224273A1

  公开（公告）日：2011-09-15

  A compound of formula (I): and pharmaceutically-acceptable salts thereof wherein the variable groups are defined within; their use in the inhibition of 11βHSD1, processes for making them and pharmaceutical compositions comprising them are also described.

  化合物I的式子及其药用可接受的盐，其中变量基团在定义范围内；还描述了它们在抑制11βHSD1方面的使用，制造它们的过程以及包含它们的制药组合物。
• Pyrazole derivatives as 11-beta-HSD1 inhibitors
  申请人：AstraZeneca AB (Publ)

  公开号：EP2292228A1

  公开（公告）日：2011-03-09

  A compound of formula (I): and pharmaceutically -acceptable salts thereof wherein the variable groups are defined within; their use in the inhibition of 11βHSD1, processes for making them and pharmaceutical compositions comprising them are also described.

  式 (I) 的化合物： 及其药学上可接受的盐，其中的可变基团在其中定义；还描述了它们在抑制 11βHSD1 中的用途、制造工艺以及包含它们的药物组合物。
• Cyclic diarylboron derivatives as NLRP3 inflammasome inhibitors
  申请人：The University of Manchester

  公开号：US10570157B2

  公开（公告）日：2020-02-25

  Inhibitor compounds are disclosed. The compounds are effective in the treatment of diseases or conditions in which interleukin 1 β activity is implicated. Methods of synthesis of the compounds, as well as pharmaceutical compositions comprising the compounds are also disclosed.

  本研究公开了抑制剂化合物。这些化合物可有效治疗白细胞介素 1 β 活性相关的疾病或病症。此外，还公开了这些化合物的合成方法以及包含这些化合物的药物组合物。