(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 24967-94-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• CAS: 24967-94-0
• 化学式: C₁₄H₂₃NO₁₅S
• 分子量: 477.4
• InChiKey: AVJBPWGFOQAPRH-FWMKGIEWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.9
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  267
• 氢给体数：
  8
• 氢受体数：
  15

文献信息

• METHODS FOR SYNTHESIZING ANTICOAGULANT POLYSACCHARIDES
  申请人：Optimvia, LLC

  公开号：EP3997238A1

  公开（公告）日：2022-05-18
• [EN] PHARMACEUTICAL FORMULATIONS<br/>[FR] FORMULATIONS PHARMACEUTIQUES
  申请人：GLAXO GROUP LTD

  公开号：WO2006008173A2

  公开（公告）日：2006-01-26

  The present invention relates to salts of a biodegradable polymeric sugars comprising acidic groups and a pharmaceutically active agent comprising one or more basic groups, and to pharmaceutical formulations of said salts adapted for administration by inhalation.
• [EN] METHODS FOR SYNTHESIZING ANTICOAGULANT POLYSACCHARIDES<br/>[FR] PROCÉDÉS DE SYNTHÈSE DE POLYSACCHARIDES ANTICOAGULANTS
  申请人：OPTIMVIA LLC

  公开号：WO2021007429A1

  公开（公告）日：2021-01-14

  The present invention includes methods for preparing anticoagulant polysaccharides using several non-naturally occurring, engineered sulfotransferase enzymes that are designed to react with aryl sulfate compounds instead of the natural substrate, 3 '-phosphoadenosine 5 '-phosphosulfate, to facilitate sulfo group transfer to polysaccharide sulfo group acceptors. Suitable aryl sulfate compounds include, but are not limited to, p-nitrophenyl sulfate or 4-nitrocatechol sulfate. Anticoagulant polysaccharides produced by methods of the present invention comprise N-, 3-0-, 6- O-sulfated glucosamine residues and 2-0 sulfated hexuronic acid residues, have comparable anticoagulant activity compared to commercially-available anticoagulant polysaccharides, and can be utilized to form truncated anticoagulant polysaccharides having a reduced molecular weight.
• [EN] METHODS FOR SYNTHESIZING NON-ANTICOAGULANT HEPARAN SULFATE<br/>[FR] PROCÉDÉS DE SYNTHÈSE DE SULFATE D'HÉPARANE NON ANTICOAGULANT
  申请人：OPTIMVIA LLC

  公开号：WO2022015794A1

  公开（公告）日：2022-01-20

  Non-anti coagulant heparan sulfate polysaccharides, and methods for preparing thereof using non-naturally occurring, engineered sulfotransferase enzymes that are designed to react with aryl sulfate compounds instead of the natural substrate, PAPS, to facilitate sulfo group transfer to polysaccharide sulfo group acceptors. Suitable aryl sulfate compounds include, but are not limited to, p-nitrophenyl sulfate or 4-nitrocatechol sulfate. One class of heparan sulfate polysaccharides produced by methods of the present invention comprise N- and 6-O-su!fated glucosamine residues, but are neither 2-0 sulfated or 3-0 sulfated. Such ΑΓ-, 6-0 sulfated heparan sulfate polysaccharides can have comparable pharmacological activity compared to (9-desulfated heparin (ODSH), without possessing any of ODSH's low-level anticoagulant activity.