去氨基甲酰新石房蛤毒素 | 68683-58-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 中文名称: 去氨基甲酰新石房蛤毒素
• 英文名称: Decarbamoylneosaxitoxin
• 英文别名: (3aS,4R,10aS)-2-amino-5-hydroxy-4-(hydroxymethyl)-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-10,10-diol
• CAS: 68683-58-9
• 化学式: C₉H₁₆N₆O₄
• 分子量: 272.26
• InChiKey: KUMXVBFFVVLQFX-PJPYAQQDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.8
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  162
• 氢给体数：
  7
• 氢受体数：
  6

文献信息

• SEMISYNTHETIC METHODS OF PREPARING GTX1,4 AND NEOSAXITOXIN
  申请人：THE CAWTHRON INSTITUTE TRUST BOARD

  公开号：US20210340153A1

  公开（公告）日：2021-11-04

  Semisynthetic methods of preparing neosaxitoxin from cultures of the dinoflagellates Alexandrium pacificum and Gymnodinium catenatum are described. The scalable method includes the reductive desulfonation of an unresolved mixture of gonyautoxin 1 (GTX1) and gonyautoxin 4 (GTX4) using dithiol in a buffered reaction solvent at a pH of about 7.5.
• [EN] PREPARATION OF NEOSAXITOXIN<br/>[FR] PRÉPARATION DE NÉOSAXITOXINE
  申请人：THE CAWTHRON INST TRUST BOARD

  公开号：WO2021191848A1

  公开（公告）日：2021-09-30

  A semisynthetic method of preparing neosaxitoxin from cultures of the dinoflagellate Gymnodinium catenatum is described. The scalable method includes the reductive desulfonation of an unresolved mixture of toxin C3 and toxin C4 and mild acid hydrolysis of the resulting gonyautoxin 6 (GTX6) to provide the neosaxitoxin.