(2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl)methyl carbamate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蛤蚌毒素、膝沟藻毒素及其衍生物
• 英文名称: (2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl)methyl carbamate
• 化学式: C₁₀H₁₇N₇O₉S
• 分子量: 411.35
• InChiKey: CETRDCWBMBILAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.7
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  266
• 氢给体数：
  8
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  (2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl)methyl carbamate 生成 新石房蛤毒素
  参考文献：
  名称：

  Journal of the Chemical Society, Chemical Communications. 1981, 7, 314-315

  摘要：

  DOI：

文献信息

• Preparative scale conversion of gonyautoxins to neosaxitoxin
  申请人：THE CAWTHRON INSTITUTE TRUST BOARD

  公开号：US10822344B2

  公开（公告）日：2020-11-03

  A method of preparing neosaxitoxin in quantities of a purity sufficient to allow the compound to be used as an active pharmaceutical ingredient (API) is described. The method includes the reductive desulfonation of an unresolved mixture of gonyautoxin 1 (GTX1) and gonyautoxin 4 (GTX4).

  本文介绍了一种制备新沙西托星的方法，其纯度足以使该化合物用作活性药物成分（API）。该方法包括对贡戈毒素 1（GTX1）和贡戈毒素 4（GTX4）的未还原混合物进行还原脱硫。
• PREPARATIVE SCALE CONVERSION OF GONYAUTOXINS TO NEOSAXITOXIN
  申请人：THE CAWTHRON INSTITUTE TRUST BOARD

  公开号：US20200255441A1

  公开（公告）日：2020-08-13

  A method of preparing neosaxitoxin in quantities of a purity sufficient to allow the compound to be used as an active pharmaceutical ingredient (API) is described. The method includes the reductive desulfonation of an unresolved mixture of gonyautoxin 1 (GTX1) and gonyautoxin 4 (GTX4).
• 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.
• Journal of the Chemical Society, Chemical Communications. 1981, 7, 314-315
  作者：

  DOI：——

  日期：——