5-oxo-cyclooctanecarbonitrile | 394733-04-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-oxo-cyclooctanecarbonitrile
• 英文别名: 5-oxocyclooctane-1-carbonitrile
• CAS: 394733-04-1
• 化学式: C₉H₁₃NO
• 分子量: 151.208
• InChiKey: NNEXLVIIARBAQJ-UHFFFAOYSA-N

物化性质

• 沸点：
  300.8±35.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-oxo-cyclooctanecarbonitrile 在 ammonium acetate 、 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 5-amino-cyclooctanecarbonitrile
  参考文献：
  名称：

  WO2007/118185

  摘要：

  公开号：
• 作为产物：
  描述：

  cyclooctane-1,5-diol 在 N-甲基吲哚酮 、 四丙基高钌酸铵 、 potassium tert-butylate 、 四丁基氟化铵 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 乙二醇二甲醚 、 二氯甲烷 为溶剂， 反应 19.0h， 生成 5-oxo-cyclooctanecarbonitrile
  参考文献：
  名称：

  Synthesis and structural activity relationship of 11β-HSD1 inhibitors with novel adamantane replacements

  摘要：

  A series of structurally novel and metabolically stable bridged bicyclic carbocycle and heterocycle adamantane replacements have been synthesized and biologically evaluated. Several of these compounds exhibit excellent human and mouse 11 beta-HSD1 potency and 11 beta-HSD2 selectivity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.062

文献信息

• Regioselective radical ring-opening reaction of bicyclo[4.2.0]octan-2-ones promoted by samarium(II) iodide
  作者：Kiyomi Kakiuchi、Koichi Minato、Ken Tsutsumi、Tsumoru Morimoto、Hideo Kurosawa

  DOI：10.1016/s0040-4039(03)00085-6

  日期：2003.2

  Radical ring-opening reactions of bicyclo[4.2.0]octanones, its C6 alkyl derivatives, and tricyclic ketones promoted by SmI2 gave cyclohexanones via fission of the external cyclobutane bond. The CO2Me, CN, and phenyl derivatives led to the production of the eight-membered ring compounds through cleavage of the central cyclobutane bond. Using this regioselective reaction, the synthesis of (±)-acorenone

  双环[4.2.0]辛酮，其C6烷基衍生物和SmI 2促进的三环酮的自由基开环反应通过外部环丁烷键的裂变产生环己酮。CO 2 Me，CN和苯基衍生物通过裂解中央环丁烷键而导致生成八元环化合物。使用该区域选择性反应，实现了（±）-aco烯酮的合成。
• INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME
  申请人：Yeh S. Vince

  公开号：US20080076819A1

  公开（公告）日：2008-03-27

  A compound of formula (I): or a pharmaceutically acceptable salt, prodrug, salt of a prodrug, or a combination thereof. Methods of inhibiting 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme. Methods of treating non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome and other diseases and conditions that are mediated by excessive glucocorticoid action.

  化合物式(I)的复合物，或其药学上可接受的盐、前药、前药的盐或其组合物。抑制11-β-羟基类固醇脱氢酶1型酶的方法。治疗非胰岛素依赖性2型糖尿病、胰岛素抵抗、肥胖症、脂质代谢紊乱、代谢综合征和其他由过度糖皮质激素作用介导的疾病和情况的方法。
• Inhibitors of the 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Enzyme
  申请人：Yeh Vince S.

  公开号：US20080312214A1

  公开（公告）日：2008-12-18

  Methods for treating a mammal suffering from glucocorticoid-related diseases and conditions, comprising administering to the mammal an effective amount of a selective inhibitor of 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme activity, wherein the inhibitor is a compound of formula (I): or a pharmaceutically acceptable salt, prodrug, salt of a prodrug, or a combination thereof. Methods of inhibiting 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme. Methods of treating neuronal degeneration, dysfunction, acute psychosis, anxiety, dementia, depression, non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome and other diseases and conditions that are mediated by excessive glucocorticoid action.

  治疗患有糖皮质激素相关疾病和症状的哺乳动物的方法，包括向哺乳动物施用有效量的11-β-羟基类固醇脱氢酶类型1酶活性的选择性抑制剂，其中该抑制剂是式(I)的化合物，或其药学上可接受的盐、前药盐、前药盐的盐或其组合。抑制11-β-羟基类固醇脱氢酶类型1酶的方法。治疗神经退行性、功能障碍、急性精神病、焦虑、痴呆、抑郁、非胰岛素依赖型2型糖尿病、胰岛素抵抗、肥胖症、脂质代谢紊乱、代谢综合症以及其他由过度糖皮质激素作用介导的疾病和症状的方法。
• Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme
  申请人：Abbott Laboratories

  公开号：US07737137B2

  公开（公告）日：2010-06-15

  Methods for treating a mammal suffering from glucocorticoid-related diseases and conditions, comprising administering to the mammal an effective amount of a selective inhibitor of 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme activity, wherein the inhibitor is a compound of formula (I): or a pharmaceutically acceptable salt, prodrug, salt of a prodrug, or a combination thereof. Methods of inhibiting 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme. Methods of treating neuronal degeneration, dysfunction, acute psychosis, anxiety, dementia, depression, non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome and other diseases and conditions that are mediated by excessive glucocorticoid action.

  治疗患有糖皮质激素相关疾病和病况的哺乳动物的方法，包括向哺乳动物施用有效量的11-β-羟基类固醇脱氢酶类型1酶活性的选择性抑制剂，其中抑制剂是化合物I的药物接受性盐、前药、前药的盐或其组合。抑制11-β-羟基类固醇脱氢酶类型1酶的方法。治疗神经退行性、功能障碍、急性精神病、焦虑、痴呆、抑郁、非胰岛素依赖性2型糖尿病、胰岛素抵抗、肥胖症、脂质代谢紊乱、代谢综合征和其他由过度糖皮质激素作用介导的疾病和病况的方法。
• WO2007/118185
  申请人：——

  公开号：——

  公开（公告）日：——