1H-吡咯-3-羧酸,1-甲基-4-(1-甲基乙基)- | 94160-10-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 中文名称: 1H-吡咯-3-羧酸,1-甲基-4-(1-甲基乙基)-
• 中文别名: 2-十七烷基-3-(2-羟基乙基)-4,5-二氢-1H-咪唑-3-鎓氯化物
• 英文名称: 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol;chloride
• CAS: 94160-10-8
• 化学式: C22H45ClN2O
• 分子量: 389.1
• InChiKey: LBEJEZHDEBDLKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.54
• 重原子数：
  26
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  37
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933290090

文献信息

• [EN] APP SPECIFIC BACE INHIBITORS (ASBIs) AND USES THEREOF<br/>[FR] INHIBITEURS DE BACE SPÉCIFIQUES DE L'APP (ASBI) ET LEURS UTILISATIONS
  申请人：JOHN VARGHESE

  公开号：WO2013142370A1

  公开（公告）日：2013-09-26

  In certain embodiments APP-specific BACE inhibitors (ASBIs) are provided as well as uses thereof. In certain embodiments methods of preventing or delaying the onset of a pre-Alzheimer's condition and/or cognitive dysfunction, and/or ameliorating one or more symptoms of a pre-Alzheimer's condition and/or cognitive dysfunction, or preventing or delaying the progression of a pre-Alzheimer's condition or cognitive dysfunction to Alzheimer's disease are provided where the method involves administering to a subject in need thereof an APP specific BACE inhibitor (ASBI) in an amount sufficient to prevent or delay the onset of a pre-Alzheimer's cognitive dysfunction, and/or to ameliorate one or more symptoms of a pre-Alzheimer's cognitive dysfunction, and/or to prevent or delay the progression of a pre-Alzheimer's cognitive dysfunction to Alzheimer's disease. In certain embodiments the ASBI is a flavonoid (e.g. galangin) or flavonoid progrug (e.g., galangin prodrug).

  在某些实施例中，提供了特定于APP的BACE抑制剂（ASBI）以及其用途。在某些实施例中，提供了预防或延迟早期阿尔茨海默病症状和/或认知功能障碍的方法，以及改善早期阿尔茨海默病症状和/或认知功能障碍的一种或多种症状，或预防或延迟早期阿尔茨海默病症状或认知功能障碍发展为阿尔茨海默病的方法，其中该方法涉及向需要的受试者施用足以预防或延迟早期阿尔茨海默病认知功能障碍发作的APP特异性BACE抑制剂（ASBI）的剂量，和/或改善早期阿尔茨海默病认知功能障碍的一种或多种症状，和/或预防或延迟早期阿尔茨海默病认知功能障碍发展为阿尔茨海默病。在某些实施例中，ASBI是一种黄酮类化合物（例如，没药酮）或黄酮类化合物前药（例如，没药酮前药）。
• [EN] MTORC MODULATORS AND USES THEREOF<br/>[FR] MODULATEURS DE MTORC ET LEURS UTILISATIONS
  申请人：AEOVIAN PHARMACEUTICALS INC

  公开号：WO2020154447A1

  公开（公告）日：2020-07-30

  Novel rapamycin analogs and uses thereof are disclosed herein. The rapamycin analogs of the present disclosure show increased mTORC1 specificity and lowered mTORC2 specificity relative to rapamycin.

  本文披露了新型雷帕霉素类似物及其用途。本公开的雷帕霉素类似物相对于雷帕霉素表现出增加的mTORC1特异性和降低的mTORC2特异性。
• [EN] HYDANTOINS THAT MODULATE BACE-MEDIATED APP PROCESSING<br/>[FR] HYDANTOÏNE MODULANT LE TRAITEMENT D'APP MÉDIÉ PAR BACE
  申请人：BUCK INST FOR RES ON AGING

  公开号：WO2014127042A1

  公开（公告）日：2014-08-21

  In certain embodiments hydantoin compounds are provided herein that are effective to inhibit BACE activity against APP. Without being bound to a particular theory, it is believed the activity of the hydantoins identified herein appears to be associated with binding to BACE and/or to APP particularly when these moieties form a BACE/APP complex. Accordingly, it is believed the compounds described herein represent a new class of compounds designated herein as APP-Binding-BACE Inhibitors (ABBIs) and provide a new mechanism to modulate APP processing. The hydantoins described herein appear to show improved brain permeability and functional BACE inhibition.

  在某些实施例中，本文提供了一些有效抑制BACE对APP活性的咪唑烷酮化合物。在没有受限于特定理论的情况下，据信此处识别的咪唑烷酮的活性似乎与结合到BACE和/或APP有关，特别是当这些基团形成BACE/APP复合物时。因此，据信本文描述的化合物代表了一类新的化合物，被称为APP结合BACE抑制剂（ABBIs），并提供了一种新的机制来调节APP的加工。这里描述的咪唑烷酮似乎显示出改善的脑透过性和功能性BACE抑制作用。
• [EN] APOE4-TARGETED THERAPUTICS THAT INCREASE SIRT1<br/>[FR] AGENTS THÉRAPEUTIQUES CIBLÉS SUR L'APOE4 QUI ACCROISSENT SIRT1
  申请人：UNIV CALIFORNIA

  公开号：WO2016028910A1

  公开（公告）日：2016-02-25

  A link between ApoE4 allele and sirtuins expression level is identified that is believed to be associated with elevated risk for the promotion of processing of amyloid precursor protein (APP) by the non-amyloidogenic pathway in a mammal leading to elevated risk for Alzheimer's disease. Compounds are identified that upregulate sirtuins (e.g., SirT1) expression levels and appear to be useful in the treatment and/or prophylaxis of MCI and/or Alzheimer's disease.

  已确定了ApoE4等位基因与sirtuins表达水平之间的联系，据信与促进哺乳动物中非淀粉样途径下淀粉样前体蛋白（APP）的加工有关，从而导致患老年痴呆症的风险增加。已确定了一些化合物，可以上调sirtuins（例如SirT1）的表达水平，并且似乎在治疗和/或预防轻度认知障碍和/或老年痴呆症方面很有用。
• HYDANTOINS THAT MODULATE BACE-MEDIATED APP PROCESSING
  申请人：Buck Institute for Research on Aging

  公开号：US20140371283A1

  公开（公告）日：2014-12-18

  In certain embodiments hydantoin compounds are provided herein that are effective to inhibit BACE activity against APP. Without being bound to a particular theory, it is believed the activity of the hydantoins identified herein appears to be associated with binding to BACE and/or to APP particularly when these moieties form a BACE/APP complex. Accordingly, it is believed the compounds described herein represent a new class of compounds designated herein as APP-Binding-BACE Inhibitors (ABBIs) and provide a new mechanism to modulate APP processing. The hydantoins described herein appear to show improved brain permeability and functional BACE inhibition.

  本文提供了某些咪唑二酮化合物，其有效抑制BACE对APP的活性。虽然没有受到特定理论的约束，但人们认为，在这里识别的咪唑二酮的活性似乎与其与BACE和/或APP结合有关，尤其是当这些基团形成BACE/APP复合物时。因此，认为本文所描述的化合物代表了一类新的化合物，被称为APP结合BACE抑制剂（ABBIs），并提供了一种调节APP加工的新机制。本文所描述的咪唑二酮似乎表现出改善的脑渗透性和功能性BACE抑制作用。