(S)-1-(1-hydroxypropan-2-yl)guanidine | 1383717-00-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (S)-1-(1-hydroxypropan-2-yl)guanidine
• 英文别名: 2-[(2S)-1-hydroxypropan-2-yl]guanidine
• CAS: 1383717-00-7
• 化学式: C₄H₁₁N₃O
• 分子量: 117.151
• InChiKey: UJHRDKSPSDMKCL-VKHMYHEASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  84.6
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (S)-1-(1-hydroxypropan-2-yl)guanidine 、 (3Z)-1-cyclopropyl-4-(dimethylamino)-3-[2-(pyridin-4-ylamino)pyrimidin-4-yl]but-3-en-2-one 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以41%的产率得到(S)-2-(4'-(cyclopropylmethyl)-2-(pyridin-4-ylamino)-4,5'-bipyrimidin-2'-ylamino)propan-1-ol
  参考文献：
  名称：

  [EN] BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS
  [FR] COMPOSÉS BI-HÉTÉROARYLES EN TANT QU'INHIBITEURS DE VPS34

  摘要：

  本发明涉及治疗由Vps34高活性特征的疾病或紊乱的新方法，以及作为Vps34抑制剂的化合物；特别是公式I的化合物或其药用盐，以及治疗与Vps34抑制相关的疾病、紊乱或综合症的方法，特别是高增殖性疾病。本发明还包括包括公式I化合物及其药用盐的药物组合物。

  公开号：

  WO2012085815A1
• 作为产物：
  描述：

  在 10 wt% Pd(OH)2 on carbon 、 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 16.0h， 生成 (S)-1-(1-hydroxypropan-2-yl)guanidine
  参考文献：
  名称：

  Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2

  摘要：

  The discovery and optimization of a series of tetrahydropyridopyrimidine based extracellular signal-regulated kinase (Erks) inhibitors discovered via HTS and structure based drug design is reported. The compounds demonstrate potent and selective inhibition of Erk2 and knockdown of phospho-RSK levels in HepG2 cells and tumor xenografts. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.068

文献信息

• BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS
  申请人：Taracido Ivan Cornella

  公开号：US20140155402A1

  公开（公告）日：2014-06-05

  The present invention includes novel methods of treating a disease or disorder characterized by hyperactivity of Vps34, and compound as Vps34 inhibitors; particularly compounds of Formula I: or a pharmaceutically acceptable salt thereof, as well as methods of treating a disease, disorder, or syndrome associated with Vps34 inhibition, particularly hyperproliferative diseases. The present invention also includes pharmaceutical compositions including compounds of formula I and pharmaceutically acceptable salts thereof.

  本发明包括治疗由Vps34高活性所特征的疾病或障碍的新方法，以及作为Vps34抑制剂的化合物；特别是公式I的化合物：或其药学上可接受的盐，以及治疗与Vps34抑制相关的疾病、障碍或综合症的方法，特别是增殖过度性疾病的方法。本发明还包括包括公式I的化合物和其药学上可接受的盐的药物组合物。
• Bi-heteroaryl compounds as Vps34 inhibitors
  申请人：Taracido Ivan Cornella

  公开号：US08685993B2

  公开（公告）日：2014-04-01

  The present invention includes novel methods of treating a disease or disorder characterized by hyperactivity of Vps34, and compound as Vps34 inhibitors; particularly compounds of Formula I or a pharmaceutically acceptable salt thereof, as well as methods of treating a disease, disorder, or syndrome associated with Vps34 inhibition, particularly hyperproliferative diseases. The present invention also includes pharmaceutical compositions including compounds of formula I and pharmaceutically acceptable salts thereof.

  本发明包括治疗由Vps34过度活化引起的疾病或障碍的新方法，以及作为Vps34抑制剂的化合物；特别是公式I的化合物或其药学上可接受的盐，以及治疗与Vps34抑制相关的疾病、障碍或综合征的方法，特别是增殖过度性疾病。本发明还包括包括公式I的化合物及其药学上可接受的盐的制药组合物。
• [EN] BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS<br/>[FR] COMPOSÉS BI-HÉTÉROARYLES EN TANT QU'INHIBITEURS DE VPS34
  申请人：NOVARTIS AG

  公开号：WO2012085815A1

  公开（公告）日：2012-06-28

  The present invention includes novel methods of treating a disease or disorder characterized by hyperactivity of Vps34, and compound as Vps34 inhibitors; particularly compounds of Formula I or a pharmaceutically acceptable salt thereof, as well as methods of treating a disease, disorder, or syndrome associated with Vps34 inhibition, particularly hyperproliferative diseases. The present invention also includes pharmaceutical compositions including compounds of formula I and pharmaceutically acceptable salts thereof.

  本发明涉及治疗由Vps34高活性特征的疾病或紊乱的新方法，以及作为Vps34抑制剂的化合物；特别是公式I的化合物或其药用盐，以及治疗与Vps34抑制相关的疾病、紊乱或综合症的方法，特别是高增殖性疾病。本发明还包括包括公式I化合物及其药用盐的药物组合物。
• Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2
  作者：James F. Blake、John J. Gaudino、Jason De Meese、Peter Mohr、Mark Chicarelli、Hongqi Tian、Rustam Garrey、Allen Thomas、Christopher S. Siedem、Michael B. Welch、Gabrielle Kolakowski、Robert Kaus、Michael Burkard、Matthew Martinson、Huifen Chen、Brian Dean、Danette A. Dudley、Stephen E. Gould、Patricia Pacheco、Sheerin Shahidi-Latham、Weiru Wang、Kristina West、Jianping Yin、John Moffat、Jacob B. Schwarz

  DOI：10.1016/j.bmcl.2014.04.068

  日期：2014.6

  The discovery and optimization of a series of tetrahydropyridopyrimidine based extracellular signal-regulated kinase (Erks) inhibitors discovered via HTS and structure based drug design is reported. The compounds demonstrate potent and selective inhibition of Erk2 and knockdown of phospho-RSK levels in HepG2 cells and tumor xenografts. (C) 2014 Elsevier Ltd. All rights reserved.