methyl 4-(difluoromethyl)cyclohexanecarboxylate | 1383985-52-1

• 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: methyl 4-(difluoromethyl)cyclohexanecarboxylate
• 英文别名: methyl 4-(difluoromethyl)cyclohexane-1-carboxylate
• CAS: 1383985-52-1
• 化学式: C₉H₁₄F₂O₂
• 分子量: 192.206
• InChiKey: UPEGVKKWPIMDRI-UHFFFAOYSA-N

物化性质

• 沸点：
  207.5±15.0 °C(Predicted)
• 密度：
  1.104±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 4-(difluoromethyl)cyclohexanecarboxylate 在 水 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 N-(4-bromo-2,6-dimethylphenyl)-2-(4-(difluoromethyl)cyclohexyl)acetamide
  参考文献：
  名称：

  WO2023/125935

  摘要：

  公开号：
• 作为产物：
  描述：

  顺式-4-羟基甲基环己烷-1-羧酸甲酯 在 碳酸氢钠 、 戴斯-马丁氧化剂 、 [双(2-甲氧基乙基)胺]三氟化硫 作用下， 以 二氯甲烷 为溶剂， 反应 4.33h， 生成 methyl 4-(difluoromethyl)cyclohexanecarboxylate
  参考文献：
  名称：

  Compounds and their use as BACE Inhibitors

  摘要：

  本发明涉及式(I)的化合物及其药物组合物。此外，本发明涉及治疗方法，用于治疗和/或预防与Aβ相关的病理，如唐氏综合症，β-淀粉样蛋白血管病，如但不限于脑淀粉样蛋白血管病或遗传性脑出血，与认知损害相关的疾病，如但不限于MCI（“轻度认知损害”），阿尔茨海默病，记忆丧失，与阿尔茨海默病相关的注意力缺陷症状，与疾病如阿尔茨海默病或痴呆症相关的神经退行性疾病，包括混合性血管性和退行性起源的痴呆，早老性痴呆，老年性痴呆和与帕金森病、进行性上核性麻痹或皮层基底节变性相关的痴呆。

  公开号：

  US20120165347A1

文献信息

• [EN] COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS<br/>[FR] ASSOCIATIONS D'INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015005901A1

  公开（公告）日：2015-01-15

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组合物，以及抑制NS5A蛋白功能的方法。
• Hepatitis C Virus Inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US20130183269A1

  公开（公告）日：2013-07-18

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组成物，以及抑制NS5A蛋白功能的方法。
• COMPOUNDS AND THEIR USE AS BACE INHIBITORS
  申请人：ASTRAZENECA AB

  公开号：US20160184303A1

  公开（公告）日：2016-06-30

  The present invention relates to compounds of formula (I) and their pharmaceutical compositions. In addition, the present invention relates to therapeutic methods for the treatment and/or prevention of Aβ-related pathologies such as Down's syndrome, β-amyloid angiopathy such as but not limited to cerebral amyloid angiopathy or hereditary cerebral hemorrhage, disorders associated with cognitive impairment such as but not limited to MCI (“mild cognitive impairment”), Alzheimer's disease, memory loss, attention deficit symptoms associated with Alzheimer's disease, neurodegeneration associated with diseases such as Alzheimer's disease or dementia including dementia of mixed vascular and degenerative origin, pre-senile dementia, senile dementia and dementia associated with Parkinson's disease, progressive supranuclear palsy or cortical basal degeneration.

  本发明涉及式（I）化合物及其制药组合物。此外，本发明还涉及用于治疗和/或预防与Aβ相关的病理学，例如唐氏综合症、β淀粉样蛋白病变（如但不限于脑淀粉样血管病变或遗传性脑出血）、与认知障碍相关的疾病（如但不限于轻度认知障碍）、阿尔茨海默病、记忆丧失、与阿尔茨海默病相关的注意力缺陷症状、与疾病相关的神经退行性疾病（如阿尔茨海默病或痴呆症，包括混合血管性和退行性起源的痴呆、早老性痴呆、老年性痴呆和与帕金森病、进行性核上性麻痹或皮质基底节变性相关的痴呆）。
• [EN] COMPOUNDS AND THEIR USE AS BACE INHIBITORS<br/>[FR] COMPOSÉS ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE BACE
  申请人：ASTRAZENECA AB

  公开号：WO2012087237A1

  公开（公告）日：2012-06-28

  The present invention relates to compounds of formula (I) and their pharmaceutical compositions. In addition, the present invention relates to therapeutic methods for the treatment and/or prevention of Αβ-related pathologies such as Down's syndrome, β- amyloid angiopathy such as but not limited to cerebral amyloid angiopathy or hereditary cerebral hemorrhage, disorders associated with cognitive impairment such as but not limited to MCI ("mild cognitive impairment"), Alzheimer's disease, memory loss, attention deficit symptoms associated with Alzheimer's disease, neurodegeneration associated with diseases such as Alzheimer's disease or dementia including dementia of mixed vascular and degenerative origin, pre-senile dementia, senile dementia and dementia associated with Parkinson's disease.

  本发明涉及公式（I）化合物及其制药组合物。此外，本发明涉及治疗和/或预防与Αβ相关的病理学，如唐氏综合症，β-淀粉样血管病，如但不限于脑淀粉样血管病或遗传性脑出血，与认知障碍相关的疾病，如但不限于轻度认知障碍（MCI），阿尔茨海默病，记忆丧失，与阿尔茨海默病相关的注意力缺陷症状，与阿尔茨海默病或痴呆症等疾病相关的神经退行性。包括混合血管性和退行性起源的痴呆症，早老性痴呆症，老年痴呆症和与帕金森病相关的痴呆症的治疗方法。
• Compounds and their use as BACE inhibitors
  申请人：Astrazeneca AB

  公开号：US08865911B2

  公开（公告）日：2014-10-21

  The present invention relates to compounds of formula (I) and their pharmaceutical compositions. In addition, the present invention relates to therapeutic methods for the treatment and/or prevention of Aβ-related pathologies such as Down's syndrome, β-amyloid angiopathy such as but not limited to cerebral amyloid angiopathy or hereditary cerebral hemorrhage, disorders associated with cognitive impairment such as but not limited to MCI (“mild cognitive impairment”), Alzheimer's disease, memory loss, attention deficit symptoms associated with Alzheimer's disease, neurodegeneration associated with diseases such as Alzheimer's disease or dementia including dementia of mixed vascular and degenerative origin, pre-senile dementia, senile dementia and dementia associated with Parkinson's disease, progressive supranuclear palsy or cortical basal degeneration.

  本发明涉及式（I）化合物及其药物组合物。此外，本发明涉及治疗和/或预防与Aβ相关的病理状况，如唐氏综合症、β-淀粉样物质血管病，如但不限于脑淀粉样物质血管病或遗传性脑出血，与认知障碍相关的疾病，如但不限于轻度认知障碍（MCI）、阿尔茨海默病、记忆力下降、与阿尔茨海默病相关的注意力缺陷症状，与疾病相关的神经退行性疾病，如阿尔茨海默病或痴呆症，包括混合血管性和退行性起源的痴呆、早老性痴呆、老年性痴呆和与帕金森病、进行性核上性麻痹或皮质基底节变性相关的痴呆的治疗方法。