2-(1-methoxy-butylidene)malononitrile | 871336-81-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(1-methoxy-butylidene)malononitrile
• 英文别名: [1-(methyloxy)-butylidene]propanedinitrile；2-(1-Methoxybutylidene)propanedinitrile；2-(1-methoxybutylidene)propanedinitrile
• CAS: 871336-81-1
• 化学式: C₈H₁₀N₂O
• 分子量: 150.18
• InChiKey: HNNJMJWOSXHEJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  56.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1-methoxy-butylidene)malononitrile 在 肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 5-amino-3-propyl-1H-pyrazole-4-carbonitrile
  参考文献：
  名称：

  [EN] KINASE MODULATORS AND METHODS OF USE
  [FR] MODULATEURS DES PROTEINES KINASES ET LEURS METHODES D'UTILISATION

  摘要：

  公开号：

  WO2005117909A3
• 作为产物：
  描述：

  (1-羟基亚丁基)丙二腈 、 三甲基硅烷化重氮甲烷 以 甲醇 、 hexanes 、 乙醚 为溶剂， 反应 3.0h， 生成 2-(1-methoxy-butylidene)malononitrile
  参考文献：
  名称：

  [EN] KINASE MODULATORS AND METHODS OF USE
  [FR] MODULATEURS DES PROTEINES KINASES ET LEURS METHODES D'UTILISATION

  摘要：

  公开号：

  WO2005117909A3

文献信息

• Base-catalyzed one-pot tandem reaction: an effective strategy for the synthesis of pyrazolo[3,4-d]pyrimidinone derivatives
  作者：Ming-xing Liu、Jia-rong Li、Kai Zheng、Huan Yao、Qi Zhang、Da-xin Shi

  DOI：10.1016/j.tet.2015.07.065

  日期：2015.10

  An effective one-pot multicomponent synthesis of pyrazolo[3,4-d]pyrimidinone derivatives through the tandem heterocyclization of hydrazine, methylenemalononitrile and aldehyde has been developed. This highly effective method includes nucleophilic addition, heterocyclization, substitution, intramolecular Pinner, Dimroth rearrangement and dehydroaromatization.

  通过肼，亚甲基丙二腈和醛的串联杂环化，开发了一种有效的一锅多组分合成吡唑并[3,4- d ]嘧啶酮衍生物的方法。这种高效的方法包括亲核加成，杂环化，取代，分子内Pinner，Dimroth重排和脱氢芳香化。
• Design and evaluation of a series of pyrazolopyrimidines as p70S6K inhibitors
  作者：Joerg Bussenius、Neel K. Anand、Charles M. Blazey、Owen J. Bowles、Lynne Canne Bannen、Diva S.-M. Chan、Baili Chen、Erick W. Co、Simona Costanzo、Steven C. DeFina、Larisa Dubenko、Stefan Engst、Maurizio Franzini、Ping Huang、Vasu Jammalamadaka、Richard G. Khoury、Moon H. Kim、Rhett R. Klein、Douglas Laird、Donna T. Le、Morrison B. Mac、David J. Matthews、David Markby、Nicole Miller、John M. Nuss、Jason J. Parks、Tsze H. Tsang、Amy L. Tsuhako、Yong Wang、Wei Xu、Kenneth D. Rice

  DOI：10.1016/j.bmcl.2012.01.105

  日期：2012.3

  The 70-kDa ribosomal protein S6 kinase (p70S6K) is part of the PI3K/AKT/mTOR pathway and has been implicated in cancer. High throughput screening versus p70S6K led to the identification of aminopyrimidine 3a as active inhibitor. Lead optimization of 3a resulted in highly potent, selective, and orally bioavailable pyrazolopyrimidines. In this manuscript we report the structure-activity relationship of this series and pharmacokinetic, pharmacodynamic, and efficacy data of the lead compound 13c. (C) 2012 Elsevier Ltd. All rights reserved.
• KINASE MODULATORS AND METHODS OF USE
  申请人：Exelixis, Inc.

  公开号：EP1750727A2

  公开（公告）日：2007-02-14
• Kinase Modulators and Methods of Use
  申请人：Anand Neel K.

  公开号：US20080076774A1

  公开（公告）日：2008-03-27

  The present invention relates to compounds of the Formula (I) and (II) wherein R, R 21 , R 25 -R 33 , m, n, X 21 -X 23 , and Q 1 are defined herein. The compounds modulate protein kinase enzymatic activity to modulate cellular activities such as proliferation, differentiation, programmed cell death, migration and chemoinvasion. Compounds of the invention inhibit, regulate and/or modulate kinases, particularly p70S6 and/or Akt kinases. Methods of using and preparing the compounds, and pharmaceutical compositions thereof, to treat kinase-dependent diseases and conditions are also an aspect of the invention.
• US8076338B2
  申请人：——

  公开号：US8076338B2

  公开（公告）日：2011-12-13