4-(4-aminopiperidin-1-yl)pyrimidin-2-amine | 1259940-46-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(4-aminopiperidin-1-yl)pyrimidin-2-amine
• CAS: 1259940-46-9
• 化学式: C₉H₁₅N₅
• 分子量: 193.252
• InChiKey: KBZTWADNPXTKQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  81.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(4-aminopiperidin-1-yl)pyrimidin-2-amine 、 苄磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以36%的产率得到N-(1-(2-aminopyrimidin-4-yl)piperidin-4-yl)-1-phenylmethanesulfonamide
  参考文献：
  名称：

  Disubstituted 1-Aryl-4-Aminopiperidine Library Synthesis Using Computational Drug Design and High-Throughput Batch and Flow Technologies

  摘要：

  A platform that incorporates computational library design, parallel solution-phase synthesis, continuous flow hydrogenation, and automated high throughput purification and reformatting technologies was applied to the production of a 120-member library of 1-aryl-4-amino-piperidine analogues for drug discovery screening. The application described herein demonstrates the advantages of computational library design coupled with a flexible, modular approach to library synthesis. The enabling technologies described can be readily adopted by the traditional medicinal chemist without extensive training and lengthy process development times.

  DOI：

  10.1021/co400078r
• 作为产物：
  描述：

  4-叠氮基哌啶-1-羧酸叔丁酯 在 盐酸 、 10% Pt/activated carbon 、 氢气 、 potassium carbonate 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 甲醇 、 二甲基亚砜 为溶剂， 反应 18.0h， 生成 4-(4-aminopiperidin-1-yl)pyrimidin-2-amine
  参考文献：
  名称：

  Disubstituted 1-Aryl-4-Aminopiperidine Library Synthesis Using Computational Drug Design and High-Throughput Batch and Flow Technologies

  摘要：

  A platform that incorporates computational library design, parallel solution-phase synthesis, continuous flow hydrogenation, and automated high throughput purification and reformatting technologies was applied to the production of a 120-member library of 1-aryl-4-amino-piperidine analogues for drug discovery screening. The application described herein demonstrates the advantages of computational library design coupled with a flexible, modular approach to library synthesis. The enabling technologies described can be readily adopted by the traditional medicinal chemist without extensive training and lengthy process development times.

  DOI：

  10.1021/co400078r

文献信息

• 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES
  申请人：Black Lawrence A.

  公开号：US20100331294A1

  公开（公告）日：2010-12-30

  Compounds of the formula wherein R 1 and R 2 are as disclosed herein, are useful in treating conditions or disorders prevented by or ameliorated by histamine-3 receptor full or partial agonists. Also disclosed are pharmaceutical compositions, methods for using such compounds and compositions, and processes for preparing the compounds.

  其中R1和R2如本文所披露的那样的化合物，在治疗通过组胺-3受体的全或部分激动剂预防或缓解的病症或疾病中是有用的。还披露了药物组合物、使用这类化合物和组合物的方法，以及制备这类化合物的过程。
• US8796297B2
  申请人：——

  公开号：US8796297B2

  公开（公告）日：2014-08-05
• Disubstituted 1-Aryl-4-Aminopiperidine Library Synthesis Using Computational Drug Design and High-Throughput Batch and Flow Technologies
  作者：Marian C. Bryan、Christopher D. Hein、Hua Gao、Xiaoyang Xia、Heather Eastwood、Bernd A. Bruenner、Steven W. Louie、Elizabeth M. Doherty

  DOI：10.1021/co400078r

  日期：2013.9.9

  A platform that incorporates computational library design, parallel solution-phase synthesis, continuous flow hydrogenation, and automated high throughput purification and reformatting technologies was applied to the production of a 120-member library of 1-aryl-4-amino-piperidine analogues for drug discovery screening. The application described herein demonstrates the advantages of computational library design coupled with a flexible, modular approach to library synthesis. The enabling technologies described can be readily adopted by the traditional medicinal chemist without extensive training and lengthy process development times.