neopentylhydrazine hydrochloride

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: neopentylhydrazine hydrochloride
• 英文别名: Neopentylhydrazine hydrochloride；2,2-dimethylpropylhydrazine;hydrochloride
• 化学式: C₅H₁₄N₂*ClH
• 分子量: 138.641
• InChiKey: NLLBOGFSNCEREB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  8
• 可旋转键数：
  2
• 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：

  neopentylhydrazine hydrochloride 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

• [EN] PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS<br/>[FR] DÉRIVÉS PYRAZOLES OXADIAZOLES EN TANT QU'AGONISTES DE S1P1
  申请人：MERCK SERONO SA

  公开号：WO2010142628A1

  公开（公告）日：2010-12-16

  The present invention relates to pyrazole oxadiazoles derivatives of Formula (I), and their use for treating multiple sclerosis and other diseases. Wherein R1, R2 and R3 are as defined in the description.

  本发明涉及式(I)的吡唑噁二唑衍生物，以及它们用于治疗多发性硬化症和其他疾病的用途。其中R1、R2和R3如描述中所定义。
• PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS
  申请人：Quattropani Anna

  公开号：US20120071460A1

  公开（公告）日：2012-03-22

  The present invention relates to pyrazole oxadiazoles derivatives of Formula (I), and their use for treating multiple sclerosis and other diseases, wherein R 1 , R 2 and R 3 are as defined in the description.

  本发明涉及式（I）的吡唑噁二唑衍生物，以及它们用于治疗多发性硬化症和其他疾病的用途，其中R1、R2和R3如描述中所定义。
• SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of <i>Toxoplasma gondii</i> CDPK1
  作者：Wenlin Huang、Kayode K. Ojo、Zhongsheng Zhang、Kasey Rivas、Rama Subba Rao Vidadala、Suzanne Scheele、Amy E. DeRocher、Ryan Choi、Matthew A. Hulverson、Lynn K. Barrett、Igor Bruzual、Latha Kallur Siddaramaiah、Keshia M. Kerchner、Matthew D. Kurnick、Gail M. Freiberg、Dale Kempf、Wim G. J. Hol、Ethan A. Merritt、Georg Neckermann、Eugenio L. de Hostos、Nina Isoherranen、Dustin J. Maly、Marilyn Parsons、J. Stone Doggett、Wesley C. Van Voorhis、Erkang Fan

  DOI：10.1021/acsmedchemlett.5b00319

  日期：2015.12.10

  We previously discovered compounds based on a 5-aminopyrazole-4-carboxamide scaffold to be potent and selective inhibitors of CDPK1 from T. gondii. The current work, through structure-activity relationship studies, led to the discovery of compounds (34 and 35) with improved characteristics over the starting inhibitor 1 in terms of solubility, plasma exposure after oral administration in mice, or efficacy on parasite growth inhibition. Compounds 34 and 35 were further demonstrated to be more effective than 1 in a mouse infection model and markedly reduced the amount of T. gondii in the brain, spleen, and peritoneal fluid, and 35 given at 20 mg/kg eliminated T. gondii from the peritoneal fluid.
• US8802663B2
  申请人：——

  公开号：US8802663B2

  公开（公告）日：2014-08-12
• 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).