{4-[(4-甲基哌嗪-1-基)甲基]苯基}甲醇 | 622381-65-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: {4-[(4-甲基哌嗪-1-基)甲基]苯基}甲醇
• 英文名称: (4-((4-methylpiperazin-1-yl)methyl)phenyl)methanol
• 英文别名: {4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methanol；[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol
• CAS: 622381-65-1
• 化学式: C₁₃H₂₀N₂O
• 分子量: 220.315
• InChiKey: ADMFZWUKZBAYIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  26.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  {4-[(4-甲基哌嗪-1-基)甲基]苯基}甲醇 在 草酰氯 、 硫酸 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 72.0h， 生成 6-amino-4-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-3,4-dihydro-1,3,5-triazin-2(1H)-one
  参考文献：
  名称：

  3,4-Dihydro-1,3,5-triazin-2(1H)-ones as the First Dual BACE-1/GSK-3β Fragment Hits against Alzheimer’s Disease

  摘要：

  One of the main obstacles toward the discovery of effective anti-Alzheimer drugs is the multifactorial nature of its etiopathology. Therefore, the use of multitarget-directed ligands has emerged as particularly suitable. Such ligands, able to modulate different neurodegenerative pathways, for example, amyloid and tau cascades, as well as cognitive and neurogenic functions, are fostered to come. In this respect, we report herein on the first class of BACE-1/GSK-3 beta dual inhibitors based on a 3,4-dihydro-1,3,5-triazin-2(1H)-one skeleton, whose hit compound 1 showed interesting properties in a preliminary investigation. Notably, compound 2, endowed with well-balanced potencies against the two isolated enzymes (IC50 of 16 and 7 mu M against BACE-1 and GSK-3 beta, respectively), displayed effective neuroprotective and neurogenic activities and no neurotoxicity in cell-based assays. It also showed good brain permeability in a pharmacokinetic assessment in mice. Overall, triazinone derivatives, thanks to the simultaneous modulation of multiple points of the diseased network, might emerge as suitable candidates to be tested in in vivo Alzheimer's disease models.

  DOI：

  10.1021/acschemneuro.5b00121
• 作为产物：
  描述：

  4-(4-methyl piperazin-1-ylmethyl)-benzoic acid ethyl ester 在 lithium aluminium tetrahydride 、 sodium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以67%的产率得到{4-[(4-甲基哌嗪-1-基)甲基]苯基}甲醇
  参考文献：
  名称：

  COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES

  摘要：

  本公开涉及化合物，这些化合物可用于调节载脂蛋白A-I（ApoA-I）的表达，以及它们用于治疗和预防心血管疾病及相关疾病状态，包括胆固醇或脂质相关紊乱，例如，动脉粥样硬化。

  公开号：

  US20080188467A1

文献信息

• [EN] OXABOROLE ESTERS AND USES THEREOF<br/>[FR] ESTERS D'OXABOROLE ET LEURS UTILISATIONS
  申请人：ANACOR PHARMACEUTICALS INC

  公开号：WO2017195069A1

  公开（公告）日：2017-11-16

  The present invention provides oxaborole ester compounds and compositions thereof which are useful to treat diseases associated with parasites, such as Chagas Disease and African Animal Trypanosomosis.

  本发明提供了氧硼酯酯化合物及其组合物，可用于治疗与寄生虫相关的疾病，如充血性心脏病和非洲动物锥虫病。
• TREATMENT OF DISEASES BY EPIGENETIC REGULATION
  申请人：McLure Kevin G.

  公开号：US20130281397A1

  公开（公告）日：2013-10-24

  The present disclosure provides non-naturally occurring polyphenol compounds that inhibit the bromodomain and extra terminal domain (BET) proteins. The disclosed compositions and methods can be used for treatment and prevention of cancer, including NUT midline carcinoma, Burkitt's Lymphoma, Acute Myelogenous Leukemia, and Multiple Myeloma; autoimmune or inflammatory diseases or conditions, and sepsis.

  本公开提供了抑制溴结构域和额外末端结构域（BET）蛋白的非天然存在的多酚化合物。所公开的组合物和方法可用于治疗和预防癌症，包括NUT中线癌、Burkitt淋巴瘤、急性髓系白血病和多发性骨髓瘤；自身免疫或炎症性疾病或症状，以及败血症。
• [EN] PIPERAZINE BENZOTHIAZOLES AS AGENTS FOR THE TREATMENT OF CEREBRAL ISCHEMIC DISORDERS OR CNS DISORDERS<br/>[FR] PIPERAZINE BENZOTHIAZOLES UTILISES COMME AGENTS POUR LE TRAITEMENT DE TROUBLES ISCHEMIQUES CEREBRAUX OU DE TROUBLES DU SYSTEME NERVEUX CENTRAL (SNC)
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2003091249A1

  公开（公告）日：2003-11-06

  The present invention is related to piperazine benzothiazole derivatives, notably for use in the treatment and/or prophylaxis of cerebral ischemic disorders or CNS disorders. The present invention is furthermore related to methods of their preparation.

  本发明涉及哌嗪苯并噻唑衍生物，特别是用于治疗和/或预防脑缺血性疾病或中枢神经系统疾病。本发明还涉及它们的制备方法。
• Arylmethoxy Isoindoline Derivatives and Compositions Comprising and Methods of Using the Same
  申请人：Man Hon-Wah

  公开号：US20110196150A1

  公开（公告）日：2011-08-11

  Provided are 4′-arylmethoxy isoindoline compounds, and pharmaceutically acceptable salts, solvates, clathrates, stereoisomers, and prodrugs thereof. Methods of use, and pharmaceutical compositions of these compounds are disclosed.

  提供了4'-芳基甲氧基异吲哚啉化合物，以及其药用盐、溶剂合物、包合物、立体异构体和前药。公开了这些化合物的使用方法和药物组合物。
• ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME
  申请人：Celgene Corporation

  公开号：US20180037567A1

  公开（公告）日：2018-02-08

  Provided are 4′-arylmethoxy isoindoline compounds, and pharmaceutically acceptable salts, solvates, clathrates, stereoisomers, and prodrugs thereof. Methods of use, and pharmaceutical compositions of these compounds are disclosed.

  提供了4'-芳基甲氧基异吲哚啉化合物及其药学上可接受的盐、溶剂合物、笼合物、立体异构体和前药。公开了这些化合物的使用方法和药物组合物。