(3-甲基丁基)肼盐酸盐 | 1231245-19-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: (3-甲基丁基)肼盐酸盐
• 英文名称: isopentylhydrazine hydrochloride
• 英文别名: (3-Methylbutyl)hydrazine hydrochloride；3-methylbutylhydrazine;hydrochloride
• CAS: 1231245-19-4
• 化学式: C₅H₁₄N₂*ClH
• mdl: MFCD11100942
• 分子量: 138.641
• InChiKey: ZGISDJPJIHAFON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3-甲基丁基)肼盐酸盐 在 chloro-N,N,N',N'-bis(tetramethylene)formamidinium hexafluorophosphate 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.08h， 生成 C₁₇H₂₁ClFN₃O
  参考文献：
  名称：

  Discovery and Characterization of 1H-Pyrazol-5-yl-2-phenylacetamides as Novel, Non-Urea-Containing GIRK1/2 Potassium Channel Activators

  摘要：

  The G protein-gated inwardly-rectifying potassium channels (GIRK, KO) are a family of inward-rectifying potassium channels, and there is significant evidence supporting the roles of GIRKs in a number of physiological processes and as potential targets for numerous indications. Previously reported urea containing molecules as GIRK1/2 preferring activators have had significant pharmacokinetic (PK) liabilities. Here we report a novel series of 1H-pyrazolo-5yl-2-phenylacetamides in an effort to improve upon the PK properties. This series of compounds display nanomolar potency as GIRK1/2 activators with improved brain distribution (rodent K-p > 0.6).

  DOI：

  10.1021/acschemneuro.7b00217

文献信息

• Pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione derivatives as novel small molecule chaperone amplifiers
  作者：Yuefen Zhou、Linyi Wei、Thomas P. Brady、P.S. Murali Mohan Redddy、Tram Nguyen、Jinhua Chen、Qingyan Au、Il Sang Yoon、Gary Yip、Bin Zhang、Jack R. Barber、Shi Chung Ng

  DOI：10.1016/j.bmcl.2009.05.073

  日期：2009.8

  Pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione derivatives were investigated as novel small molecule amplifiers of heat shock factor 1 transcriptional activity. Lead optimization led to the discovery of compound 4A-13, which displayed potent HSF1 activity under mild heat stress (EC50 = 2.5 μM) and significant cytoprotection in both rotenone (EC50 = 0.23 μM) and oxygen-glucose deprivation cell toxicity

  嘧啶[5,4- e ] [1,2,4]三嗪-5,7（1 H，6 H）-二酮衍生物被研究为热休克因子1转录活性的新型小分子放大器。铅的优化导致化合物4A-13的发现，该化合物在轻度热应激下（EC 50  = 2.5μM）表现出强大的HSF1活性，在鱼藤酮（EC 50  = 0.23μM）和氧-葡萄糖剥夺细胞毒性模型中均具有显着的细胞保护作用（在2.5μM时具有80％的保护）。
• N-Substituierte 2-Hydrazono-Propionsäure-Derivate, Verfahren zur Herstellung derselben und Arzneimittel, die diese enthalten
  申请人：BOEHRINGER MANNHEIM GMBH

  公开号：EP0001144A1

  公开（公告）日：1979-03-21

  2-Hydrazono - propionsäure - Derivate der allgemeinen Formel I Verfahren zu ihrer Herstellung durch Umsetzung von entsprechenden Hydrazinen mit einem Propionsäure Derivat mit 'blutzuckersenkender Wirkung sowie Arzneimittel, ihre Verwendung zur Herstellung von Arzneimitteln, die neben üblichen Trägerstoffen einen Wirkstoff der Formel I enthalten.

  通式 I 的 2-肼基丙酸衍生物 通过相应的肼与具有降血糖作用的丙酸衍生物反应制备 2-肼基丙酸衍生物的工艺，以及它们在制备除常规辅料外还含有式 I 活性化合物的药物中的用途。
• Rapid, microwave-assisted synthesis of N1-substituted 3-amino-1,2,4-triazoles
  作者：Jerry Meng、Pei-Pei Kung

  DOI：10.1016/j.tetlet.2008.12.042

  日期：2009.4

  A robust, regioselective synthesis of 3-amino-1,2,4-triazoles is described. This reaction employs a key intermediate 2, which is coupled to carboxylic acids in good yields to afford intermediates 3a-d. These entities, in turn, react with a variety of hydrazines or hydrazine hydrochlorides to provide proposed intermediates 4a-j, which under microwave conditions cyclize to the desired 3-amino-1,2,4-triazoles (compounds 5a-j). This approach permits the rapid synthesis of regioselective NI-substituted 3-amino-1,2,4-triazoles, and is shown to afford a variety of such compounds in 34-70% isolated yields. (C) 2009 Elsevier Ltd. All rights reserved.
• US4206231A
  申请人：——

  公开号：US4206231A

  公开（公告）日：1980-06-03
• Discovery and Characterization of 1<i>H</i>-Pyrazol-5-yl-2-phenylacetamides as Novel, Non-Urea-Containing GIRK1/2 Potassium Channel Activators
  作者：Joshua M. Wieting、Anish K. Vadukoot、Swagat Sharma、Kristopher K. Abney、Thomas M. Bridges、J. Scott Daniels、Ryan D. Morrison、Kevin Wickman、C. David Weaver、Corey R. Hopkins

  DOI：10.1021/acschemneuro.7b00217

  日期：2017.9.20

  The G protein-gated inwardly-rectifying potassium channels (GIRK, KO) are a family of inward-rectifying potassium channels, and there is significant evidence supporting the roles of GIRKs in a number of physiological processes and as potential targets for numerous indications. Previously reported urea containing molecules as GIRK1/2 preferring activators have had significant pharmacokinetic (PK) liabilities. Here we report a novel series of 1H-pyrazolo-5yl-2-phenylacetamides in an effort to improve upon the PK properties. This series of compounds display nanomolar potency as GIRK1/2 activators with improved brain distribution (rodent K-p > 0.6).