Anatabine citrate | 1354209-03-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Anatabine citrate
• 英文别名: 2-hydroxypropane-1,2,3-tricarboxylic acid;3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine
• CAS: 1354209-03-2
• 化学式: C16H20N2O7
• 分子量: 352.34
• InChiKey: FCSIYFXMBFVWPD-PPHPATTJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.42
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  157
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (S)-N-allyl-1-(3-pyridyl)-3-butenylamine 以60的产率得到Anatabine citrate
  参考文献：
  名称：

  Tetrahedron Lett. 2011, 52, 4619-4621

  摘要：

  DOI：

文献信息

• [EN] 3-(1,2,3,6-TETRAHYDROPYRIDIN-2-YL)PYRIDINE GLUTARATE OR A PHARMACEUTICALLY ACCEPTABLE SOLVATE THEREOF<br/>[FR] 3- (1,2,3,6-TÉTRAHYDROPYRIDIN-2-YL) PYRIDINE GLUTARATE OU UN SOLVATE PHARMACEUTIQUEMENT ACCEPTABLE DE CELUI-CI
  申请人：PHILIP MORRIS PRODUCTS SA

  公开号：WO2020127225A1

  公开（公告）日：2020-06-25

  The present invention relates to 3 -( 1,2,3,6-tetrahydropyridin-2-yI)pyridine glutarate or a pharmaceutically acceptable solvate thereof, to a crystal thereof and to a polymorph of this crystal It further relates to the medicinal use of each of these, in particular in the treatment or prophylaxis of substance addiction or inflammation

  这项发明涉及3-(1,2,3,6-四氢吡啶-2-基)吡啶戊二酸盐或其药用可溶剂结晶体，以及该结晶体的多晶形态。此外，还涉及这些物质的药用，特别是在治疗或预防物质成瘾或炎症方面的用途。
• METHODS OF SYNTHESIZING ANATABINE
  申请人：Puthiaparampil Tom Thomas

  公开号：US20110237627A1

  公开（公告）日：2011-09-29

  Anatabine is obtained by reacting benzophenoneimine with 3-aminomethyl pyridine to form benzylhydrylidene-pyridin-3-yl-methyl-amine. The benzylhydrylidene-pyridin-3-yl-methyl-amine is treated with a non-nucleophilic base and a dielectrophile, such as cis-1,4-dichloro-2-butene, followed by acidification, then basification, to provide anatabine. The resulting anatabine is substantially free from contaminants and displays good stability. In an alternative embodiment, the benzylhydrylidene-pyridin-3-yl-methyl-amine may be used in the synthesis of other alkaloids such as anabasine, nornicotine, N-methylanabasine, and anabaseine.

  Anatabine是通过将苯甲酮亚胺与3-氨甲基吡啶反应形成苄基亚胺基吡啶-3-基-甲胺而获得的。将苄基亚胺基吡啶-3-基-甲胺与非亲核碱和双电子亲合剂（如顺-1,4-二氯-2-丁烯）反应，然后经过酸化、碱化处理，得到Anatabine。所得的Anatabine基本上不含杂质，并具有良好的稳定性。在另一种实施方式中，苄基亚胺基吡啶-3-基-甲胺可用于合成其他生物碱，如阿那巴碱、诺尼古丁、N-甲基阿那巴碱和阿那巴西。
• Nutraceutical Product Containing Anatabine And Yerba Maté
  申请人：Williams Jonnie R.

  公开号：US20120003341A1

  公开（公告）日：2012-01-05

  Nutraceutical compositions containing anatabine and Yerba maté extract are efficacious for temporarily reducing the desire to smoke, reducing nicotine cravings, the treatment of smoking cessation, tobacco withdrawal symptoms, tobacco dependence, weight loss, and/or related disorders.

  含有茶碱和巴拉圭草提取物的营养保健品组合，对于暂时减少吸烟欲望、减少尼古丁渴望、治疗戒烟、烟草戒断症状、烟草依赖、减肥和/或相关疾病具有疗效。
• USE OF ANATABINE TO TREAT INFLAMMATION AND METHODS OF SYNTHESIZING ANATABINE
  申请人：Rock Creek Pharmaceuticals, Inc.

  公开号：EP2549995A2

  公开（公告）日：2013-01-30
• METHODS OF ADMINISTERING ANATABINE TO TREAT AUTISM SPECTRUM DISORDERS AND SEIZURE DISORDERS
  申请人：Rock Creek Pharmaceuticals, Inc.

  公开号：EP2701704A2

  公开（公告）日：2014-03-05