1-[(3-cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-[(R)-3-amino-piperidin-1-yl]-xanthine monohydrochloride | 923019-42-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 1-[(3-cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-[(R)-3-amino-piperidin-1-yl]-xanthine monohydrochloride
• 英文别名: 1-[(3-cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-[3-(R)-amino-piperidin-1-yl]-xanthine monohydrochloride；2-[[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile;hydrochloride
• CAS: 923019-42-5
• 化学式: C₂₂H₂₄N₈O₂*ClH
• 分子量: 468.946
• InChiKey: GVKUDZAYQXIOKF-PKLMIRHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.58
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-[(3-cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-((R)-3-amino-piperidin-1-yl)-xanthine 在 盐酸 作用下， 以 乙醇 、 甲基叔丁基醚 、 异丙醇 为溶剂， 以89%的产率得到1-[(3-cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-[(R)-3-amino-piperidin-1-yl]-xanthine monohydrochloride
  参考文献：
  名称：

  8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS

  摘要：

  本发明涉及8-[3-氨基哌啶-1-基]-黄嘌呤及其生理上可接受的盐，特别是其盐酸盐。

  公开号：

  US20070027168A1

文献信息

• 8-(3-amino-piperidin-1-yl)-xanthines, their preparation, and their use as pharmaceuticals
  申请人：Boehringer Ingelheim International GmbH

  公开号：US08106060B2

  公开（公告）日：2012-01-31

  The invention relates to 8-[3-amino-piperidin-1-yl]-xanthines and the physiologically acceptable salts thereof, particularly the hydrochlorides thereof.

  本发明涉及8-[3-氨基哌啶-1-基]-黄嘌呤及其生理上可接受的盐，特别是其盐酸盐。
• 1-[(3-cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-[3-(r)-amino-piperidin-1-yl]-xanthine for the treatment of a metabolic disorder of a predominantly carnivorous non-human animal
  申请人：Boehringer Ingelheim Vetmedica GmbH

  公开号：EP2368552A1

  公开（公告）日：2011-09-28

  The present invention provides a pharmaceutical composition comprising 1-[(3-cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-[3-(R)-amino-piperidin-1-yl]-xanthine or a pharmaceutically acceptable form thereof for the therapy of a metabolic disorder or metabolic disease of a predominantly carnivorous non-human animal. It is especially useful for the therapy of diabetes and related diseases of predominantly carnivorous mammals like cats or dogs. It further provides respective uses of such compositions and of 1-[(3-cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-[3-(R)-amino-piperidin-1-yl]-xanthine or pharmaceutically acceptable forms thereof.

  本发明提供了一种药物组合物，其包含1-[(3-氰基吡啶-2-基)甲基]-3-甲基-7-(2-丁炔-1-基)-8-[3-(R)-氨基-哌啶-1-基]-黄嘌呤或其药学上可接受的形式，用于治疗以食肉为主的非人类动物的代谢紊乱或代谢疾病。它尤其适用于治疗以食肉为主的哺乳动物（如猫或狗）的糖尿病及相关疾病。它进一步提供了此类组合物和 1-[(3-氰基-吡啶-2-基)甲基]-3-甲基-7-(2-丁炔-1-基)-8-[3-(R)-氨基-哌啶-1-基]-黄嘌呤或其药学上可接受形式的各自用途。
• HYDROCHLORIDE UND HYDRATE VON 1-[(3-CYANO-PYRIDIN-2-YL) METHYL]-3-METHYL-7-(2-BUTIN-1-YL)-8-(3-AMINO-PIPERIDIN-1-YL)-XANTHIN, DEREN HERSTELLUNG UND DEREN VERWENDUNG ALS ARZNEIMITTEL
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP1912990B1

  公开（公告）日：2013-06-26
• 1-[(3-CYANO-PYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-[3-(R)-AMIN0-PIPERIDIN-1-YL]-XANTHINE FOR THE TREATMENT OF A METABOLIC DISORDER OF A PREDOMINANTLY CARNIVOROUS NON-HUMAN ANIMAL
  申请人：Boehringer Ingelheim Vetmedica GmbH

  公开号：EP2549996A1

  公开（公告）日：2013-01-30
• TASTE MASKED PHARMACEUTICAL COMPOSITION
  申请人：Boehringer Ingelheim Vetmedica GmbH

  公开号：EP2741736A1

  公开（公告）日：2014-06-18