5'-carboxymethylthioadenosine | 71732-40-6

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 5'-脱氧核糖核苷
• 英文名称: 5'-carboxymethylthioadenosine
• 英文别名: adenosin-5'-ylsulfanyl-acetic acid；2-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]acetic acid
• CAS: 71732-40-6
• 化学式: C₁₂H₁₅N₅O₅S
• 分子量: 341.348
• InChiKey: SDWHAEJQPBMWLB-JJNLEZRASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  182
• 氢给体数：
  4
• 氢受体数：
  10

文献信息

• [EN] S-ADENOSYL-L-CYSTEINE ANALOGUES AS COFACTORS FOR METHYLTRANSFERASES<br/>[FR] ANALOGUES DE S-ADÉNOSYL-L-CYSTÉINE UTILISÉS EN TANT QUE COFACTEURS DE MÉTHYLTRANSFÉRASES
  申请人：UNIV LEUVEN KATH

  公开号：WO2016030546A1

  公开（公告）日：2016-03-03

  Cofactor analogues for methyltransferases are disclosed. The compounds are represented by formula (I) wherein R1 is COOH or COO-; X is an organic or inorganic anion carrying one or more negative charges; Y and Y' are H, or an alkyl; R2 is NH2, NHBoc, or H; and Z is S or Se. R comprises a carbon-carbon double bond, carbon-oxygen double bond, carbon-sulfur double bond, carbon-nitrogen double bond, a carbon-carbon triple bond, carbon-nitrogen triple bond, an aromatic carbocyclic or heterocyclic system in β-position to the sulfonium center, unsaturated c-c bond, or c-heteroatom bond where the heteroatom is O, N, S.

  揭示了用于甲基转移酶的辅因子类似物。这些化合物由式（I）表示，其中R1为COOH或COO-；X为携带一个或多个负电荷的有机或无机阴离子；Y和Y'为H，或者是烷基；R2为NH2，NHBoc或H；Z为S或Se。R包括碳-碳双键，碳-氧双键，碳-硫双键，碳-氮双键，碳-碳三键，碳-氮三键，位于硫鎓中心的β位的芳香烃环或杂环系统，不饱和的碳-碳键，或者是碳-杂原子键，其中杂原子是O，N，S。
• Cofactor analogues for methyltransferases
  申请人：KATHOLIEKE UNIVERSITEIT LEUVEN

  公开号：US10183965B2

  公开（公告）日：2019-01-22

  Cofactor analogs for methyltransferases are disclosed. The compounds are represented by formula (I) wherein R1 is COOH or COO—; X is an organic or inorganic anion carrying one or more negative charges; Y and Y′ are H, or an alkyl; R2 is NH2, NHBoc, or H; and Z is S or Se. R comprises a carbon-carbon double bond, carbon-oxygen double bond, carbon-sulfur double bond, carbon-nitrogen double bond, a carbon-carbon triple bond, carbon-nitrogen triple bond, an aromatic carbocyclic or heterocyclic system in β-position to the sulfonium center, unsaturated c-c bond, or c-heteroatom bond where the heteroatom is O, N, S.

  本发明公开了用于甲基转移酶的辅助因子类似物。这些化合物由式（I）表示，其中 R1 是 COOH 或 COO-；X 是带有一个或多个负电荷的有机或无机阴离子；Y 和 Y′是 H 或烷基；R2 是 NH2、NHBoc 或 H；Z 是 S 或 Se。R 包括碳-碳双键、碳-氧双键、碳-硫双键、碳-氮双键、碳-碳三键、碳-氮三键、与锍中心 β 位的芳香碳环或杂环体系、不饱和 c-c 键或 c-杂原子键（其中杂原子为 O、N、S）。
• S-ADENOSYL-L-CYSTEINE ANALOGUES AS COFACTORS FOR METHYLTRANSFERASES
  申请人：Katholieke Universiteit Leuven

  公开号：EP3186266A1

  公开（公告）日：2017-07-05
• COFACTOR ANALOGUES FOR METHYLTRANSFERASES
  申请人：KATHOLIEKE UNIVERSITEIT LEUVEN

  公开号：US20170283453A1

  公开（公告）日：2017-10-05

  Cofactor analogues for methyltransferases are disclosed. The compounds are represented by formula (I) wherein R1 is COOH or COO—; X is an organic or inorganic anion carrying one or more negative charges; Y and Y′ are H, or an alkyl; R2 is NH 2 , NHBoc, or H; and Z is S or Se. R comprises a carbon-carbon double bond, carbon-oxygen double bond, carbon-sulfur double bond, carbon-nitrogen double bond, a carbon-carbon triple bond, carbon-nitrogen triple bond, an aromatic carbocyclic or heterocyclic system in β-position to the sulfonium center, unsaturated c-c bond, or c-heteroatom bond where the heteroatom is O, N, S.