环丁烷甲脒 | 748081-82-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 环丁烷甲脒
• 中文别名: 己二酸,聚合N-(3-氨基丙基)-N-甲基-1,3-丙二胺和(chloromethyl)噁丙环
• 英文名称: Cyclobutylmethamidin
• 英文别名: cyclobutanecarboximidamide；cyclobutanecarboxamidine
• CAS: 748081-82-5
• 化学式: C₅H₁₀N₂
• 分子量: 98.1478
• InChiKey: YRTJYDRUQDCJKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  49.9
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  环丁烷甲脒 在 sodium ethanolate 、 N,N-二乙基苯胺 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 生成 4,6-dichloro-2-cyclobutyl-5-methylpyrimidine
  参考文献：
  名称：

  First dual M3 antagonists-PDE4 inhibitors: Synthesis and SAR of 4,6-diaminopyrimidine derivatives

  摘要：

  SAR around 4,6-diaminopyrimidine derivatives allowed the discovery of the first potent dual M-3 antagonists and PDE4 inhibitors. Various chemical modulations around that scaffold led to the discovery of ucb-101333-3 which is characterized by the most interesting profile on both targets. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.006

文献信息

• NITROGEN CONTAINING HETEROARYL COMPOUNDS
  申请人：Bleicher Konrad

  公开号：US20110306589A1

  公开（公告）日：2011-12-15

  The invention is concerned with novel nitrogen-containing heteroaryl compounds of formula (I) wherein A 1 , A 2 , R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit PDE10A and can be used as therapeutics.

  本发明涉及一种新型的含氮杂环化合物，其化学式为（I），其中A1，A2，R1，R2，R3，R4，R5和R6如说明书和权利要求中所定义，以及其生理上可接受的盐和酯。这些化合物抑制PDE10A并可用作治疗药物。
• Nitrogen containing heteroaryl compounds
  申请人：Bleicher Konrad

  公开号：US08703768B2

  公开（公告）日：2014-04-22

  The invention is concerned with novel nitrogen-containing heteroaryl compounds of formula (I) wherein A1, A2, R1, R2, R3, R4, R5 and R6 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit PDE10A and can be used as therapeutics.

  本发明涉及一种新型的含氮杂环芳基化合物，其化学式为(I)，其中A1、A2、R1、R2、R3、R4、R5和R6如描述和权利要求中所定义，以及其生理学上可接受的盐和酯。这些化合物抑制PDE10A并可用作治疗药物。
• Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation
  作者：Pascal Furet、Vito Guagnano、Robin A. Fairhurst、Patricia Imbach-Weese、Ian Bruce、Mark Knapp、Christine Fritsch、Francesca Blasco、Joachim Blanz、Reiner Aichholz、Jacques Hamon、Doriano Fabbro、Giorgio Caravatti

  DOI：10.1016/j.bmcl.2013.05.007

  日期：2013.7

  Phosphatidylinositol-3-kinase alpha (PI3K alpha) is a therapeutic target of high interest in anticancer drug research. On the basis of a binding model rationalizing the high selectivity and potency of a particular series of 2-aminothiazole compounds in inhibiting PI3K alpha, a medicinal chemistry program has led to the discovery of the clinical candidate NVP-BYL719. (C) 2013 Elsevier Ltd. All rights reserved.
• First dual M3 antagonists-PDE4 inhibitors: Synthesis and SAR of 4,6-diaminopyrimidine derivatives
  作者：Laurent Provins、Bernard Christophe、Pierre Danhaive、Jacques Dulieu、Véronique Durieu、Michel Gillard、Florence Lebon、Sébastien Lengelé、Luc Quéré、BerendJan van Keulen

  DOI：10.1016/j.bmcl.2006.01.006

  日期：2006.4

  SAR around 4,6-diaminopyrimidine derivatives allowed the discovery of the first potent dual M-3 antagonists and PDE4 inhibitors. Various chemical modulations around that scaffold led to the discovery of ucb-101333-3 which is characterized by the most interesting profile on both targets. (C) 2006 Elsevier Ltd. All rights reserved.