N,N-二甲基-N'-(1-萘基甲基)-1,2-乙二胺 | 50341-70-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: N,N-二甲基-N'-(1-萘基甲基)-1,2-乙二胺
• 英文名称: 1,2-Ethanediamine, N,N-dimethyl-N'-(1-naphthalenylmethyl)-
• 英文别名: N',N'-dimethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine
• CAS: 50341-70-3
• 化学式: C₁₅H₂₀N₂
• mdl: MFCD01728744
• 分子量: 228.337
• InChiKey: RWJJKNPSJCNSQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N-二甲基-N'-(1-萘基甲基)-1,2-乙二胺 以 N-甲基吡咯烷酮 为溶剂， 反应 0.75h， 生成 6-((2-(dimethylamino)ethyl)(naphthalen-1-ylmethyl)amino)-4-morpholinopyrimidin-2(1H)-one
  参考文献：
  名称：

  Discovery of phosphoinositide 3-kinases (PI3K) p110β isoform inhibitor 4-[2-hydroxyethyl(1-naphthylmethyl)amino]-6-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-2-one, an effective antithrombotic agent without associated bleeding and insulin resistance

  摘要：

  Structure-based evolution of the original fragment leads resulted in the identification of 4-[2-hydroxyethyl(1-naphthylmethyl)amino]-6-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-2-one, (S)-21, a potent, selective phosphoinositide 3-kinases (PI3K) p110 beta isoform inhibitor with favourable in vivo antiplatelet effect. Despite its antiplatelet action, (S)-21 did not significantly increase bleeding time in dogs. Additionally, due to its enhanced selectivity over p110 alpha, (S)-21 did not induce any insulin resistance in rats. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.102
• 作为产物：
  描述：

  1-萘甲醛 、 N,N-二甲基乙二胺 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 6.0h， 生成 N,N-二甲基-N'-(1-萘基甲基)-1,2-乙二胺
  参考文献：
  名称：

  Discovery of phosphoinositide 3-kinases (PI3K) p110β isoform inhibitor 4-[2-hydroxyethyl(1-naphthylmethyl)amino]-6-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-2-one, an effective antithrombotic agent without associated bleeding and insulin resistance

  摘要：

  Structure-based evolution of the original fragment leads resulted in the identification of 4-[2-hydroxyethyl(1-naphthylmethyl)amino]-6-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-2-one, (S)-21, a potent, selective phosphoinositide 3-kinases (PI3K) p110 beta isoform inhibitor with favourable in vivo antiplatelet effect. Despite its antiplatelet action, (S)-21 did not significantly increase bleeding time in dogs. Additionally, due to its enhanced selectivity over p110 alpha, (S)-21 did not induce any insulin resistance in rats. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.102

文献信息

• Melanocortin-4 receptor binding compounds and methods of use thereof
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20040082779A1

  公开（公告）日：2004-04-29

  Provided are MC4-R binding compounds of the formula XVII: 1 wherein L 2 is a linker group, and P 1 , P 2 , P 3 , P 4 , Z 1 , Z 2 , Z 3 , Z 4 , Z 5 , t, s, and R are as described in the specification. Methods of using the compounds to treat MC4-R associated disorders, such as disorders associated with weight loss, are also provided.

  提供了具有以下化学式XVII的MC4-R结合化合物： 其中L2是连接基团，P1、P2、P3、P4、Z1、Z2、Z3、Z4、Z5、t、s和R如规范中所述。还提供了使用这些化合物治疗与MC4-R相关疾病的方法，例如与体重减轻相关的疾病。
• Compounds with anti-emetic effect
  申请人：Santhera Pharmaceuticals (Schweiz) AG

  公开号：EP2072050A1

  公开（公告）日：2009-06-24

  The present invention relates to the use of melanocortin-4 receptor antagonists in the treatment of emesis and nausea.

  本发明涉及使用黑色素皮质素-4 受体拮抗剂治疗呃逆和恶心。
• MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：EP1204645A2

  公开（公告）日：2002-05-15
• US6699873B1
  申请人：——

  公开号：US6699873B1

  公开（公告）日：2004-03-02
• US7375125B2
  申请人：——

  公开号：US7375125B2

  公开（公告）日：2008-05-20