tert-butyl 2-(3-oxocyclohexyl)acetate | 129139-69-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl 2-(3-oxocyclohexyl)acetate
• CAS: 129139-69-1
• 化学式: C₁₂H₂₀O₃
• 分子量: 212.289
• InChiKey: XOTTYZVQAAWQAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine 、 tert-butyl 2-(3-oxocyclohexyl)acetate 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 22.5h， 以66%的产率得到tert-butyl N-[(3E)-3-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]-methylene]cyclohexyl]carbamate
  参考文献：
  名称：

  [EN] AMIDE COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF
  [FR] COMPOSÉS AMIDES, COMPOSITIONS ET APPLICATIONS DE CEUX-CI

  摘要：

  本公开涉及替代酰胺化合物，这些化合物是脂肪酸酰胺水解酶（FAAH）的抑制剂，包括它们的立体异构体、互变异构体、前药、多型体、溶剂合物、药用盐以及含有它们的药物组合物。这些化合物在治疗、预防、预防、管理或辅助治疗与脂肪酸酰胺水解酶（FAAH）抑制相关的所有医疗状况中非常有用，例如疼痛，包括急性和术后疼痛，慢性疼痛，癌症疼痛，癌症化疗引起的疼痛，神经痛，伤害性疼痛，炎症性疼痛，背部疼痛，疾病引起的疼痛，如糖尿病性神经病变，神经病毒性疾病，包括人类免疫缺陷病毒（HIV），带状疱疹，如带状疱疹后神经痛；多发性神经病，神经毒性，机械神经损伤，腕管综合症，类似多发性硬化的免疫机制；睡眠障碍，焦虑和抑郁症，炎症性疾病，体重和进食障碍，帕金森病，成瘾，痉挛，高血压或其他疾病。该公开还涉及酰胺化合物的制备过程。公式（1）。本公开还涉及制备这类化合物的方法，以及含有它们的药物组合物。

  公开号：

  WO2013042139A1

文献信息

• AMIDE COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF
  申请人：ADVINUS THERAPEUTICS LIMITED

  公开号：US20150065464A1

  公开（公告）日：2015-03-05

  The present disclosure relates to substituted amide compounds that are inhibitors of Fatty Acid Amide Hydrolase (FAAH), their stereoisomers, tautomers, prodrugs, polymorphs, solvates, pharmaceutically acceptable salts, and pharmaceutical compositions containing them. These compounds are useful in the treatment, prevention, prophylaxis, management, or adjunct treatment of all medical conditions related to inhibition of Fatty Acid Amide Hydrolase (FAAH), such as pain including acute and post operative pain, chronic pain, cancer pain, cancer chemotherapy induced pain, neuropathic pain, nociceptive pain, inflammatory pain, back pain, pain due to disease of various origin such as: diabetic neuropathy, neurotropic viral disease including human immunodeficient virus (HIV), herpes zoster such as post herpetic neuralgia; polyneuropathy, neurotoxicity, mechanical nerve injury, carpal tunnel syndrome, immunologic mechanisms like multiple sclerosis; sleep disorders, anxiety and depression disorders, inflammatory disorders, weight and eating disorders, Parkinson's disease, addiction, spasticity, hypertension or other disorders. The disclosure also relates to the process of preparation of the amide compounds. The present disclosure also relates to methods for the preparation of such compounds, and to pharmaceutical compositions containing them.

  本公开涉及取代酰胺化合物，它们是脂肪酸酰胺酶（FAAH）的抑制剂，包括它们的立体异构体、互变异构体、前药、多晶型、溶剂化物、药学上可接受的盐以及含有它们的制药组合物。这些化合物在治疗、预防、预防、管理或辅助治疗与脂肪酸酰胺酶（FAAH）抑制相关的所有医疗条件方面非常有用，例如疼痛，包括急性和术后疼痛、慢性疼痛、癌症疼痛、癌症化疗引起的疼痛、神经病性疼痛、伤害性疼痛、炎性疼痛、背痛、由各种起源的疾病引起的疼痛，例如：糖尿病神经病变、神经病毒性疾病，包括人类免疫缺陷病毒（HIV）、带状疱疹，如带状疱疹后遗神经痛；多发性神经病、神经毒性、机械神经损伤、腕管综合症、多发性硬化等免疫机制；睡眠障碍、焦虑和抑郁症、炎症性疾病、体重和进食障碍、帕金森病、成瘾、痉挛、高血压或其他疾病。本公开还涉及酰胺化合物的制备方法，以及含有它们的制药组合物。
• [EN] AMIDE COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF<br/>[FR] COMPOSÉS AMIDES, COMPOSITIONS ET APPLICATIONS DE CEUX-CI
  申请人：ADVINUS THERAPEUTICS LTD

  公开号：WO2013042139A1

  公开（公告）日：2013-03-28

  The present disclosure relates to substituted amide compounds that are inhibitors of Fatty Acid Amide Hydrolase (FAAH), their stereoisomers, tautomers, prodrugs, polymorphs, solvates, pharmaceutically acceptable salts, and pharmaceutical compositions containing them. These compounds are useful in the treatment, prevention, prophylaxis, management, or adjunct treatment of all medical conditions related to inhibition of Fatty Acid Amide Hydrolase (FAAH), such as pain including acute and post operative pain, chronic pain, cancer pain, cancer chemotherapy induced pain, neuropathic pain, nociceptive pain, inflammatory pain, back pain, pain due to disease of various origin such as: diabetic neuropathy, neurotropic viral disease including human immunodeficient virus (HIV), herpes zoster such as post herpetic neuralgia; polyneuropathy, neurotoxicity, mechanical nerve injury, carpal tunnel syndrome, immunologic mechanisms like multiple sclerosis; sleep disorders, anxiety and depression disorders, inflammatory disorders, weight and eating disorders, Parkinson's disease, addiction, spasticity, hypertension or other disorders. The disclosure also relates to the process of preparation of the amide compounds. Formula (1). The present disclosure also relates to methods for the preparation of such compounds, and to pharmaceutical compositions containing them.

  本公开涉及替代酰胺化合物，这些化合物是脂肪酸酰胺水解酶（FAAH）的抑制剂，包括它们的立体异构体、互变异构体、前药、多型体、溶剂合物、药用盐以及含有它们的药物组合物。这些化合物在治疗、预防、预防、管理或辅助治疗与脂肪酸酰胺水解酶（FAAH）抑制相关的所有医疗状况中非常有用，例如疼痛，包括急性和术后疼痛，慢性疼痛，癌症疼痛，癌症化疗引起的疼痛，神经痛，伤害性疼痛，炎症性疼痛，背部疼痛，疾病引起的疼痛，如糖尿病性神经病变，神经病毒性疾病，包括人类免疫缺陷病毒（HIV），带状疱疹，如带状疱疹后神经痛；多发性神经病，神经毒性，机械神经损伤，腕管综合症，类似多发性硬化的免疫机制；睡眠障碍，焦虑和抑郁症，炎症性疾病，体重和进食障碍，帕金森病，成瘾，痉挛，高血压或其他疾病。该公开还涉及酰胺化合物的制备过程。公式（1）。本公开还涉及制备这类化合物的方法，以及含有它们的药物组合物。