[(3S)-3-amino-3-carboxypropyl]-[[(2S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-propylsulfanium

• 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: [(3S)-3-amino-3-carboxypropyl]-[[(2S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-propylsulfanium
• 化学式: C17H27N6O5S+
• 分子量: 427.5
• InChiKey: PFTIUPLYCFJNSS-OFQXYHKCSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  184
• 氢给体数：
  5
• 氢受体数：
  10

文献信息

• New s-adenosyl-L-methionine analogues with extended activated groups for transfer by methyltransferases
  申请人：RWTH Aachen

  公开号：EP1712557A1

  公开（公告）日：2006-10-18

  S-Adenosyl-L-methionine analogues of formula (I) wherein wherein 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 or an aromatic carbocyclic or heterocyclic system in β-position to the sulfonium center, X- is an organic or inorganic anion carrying one or more negative charges, Z is -CR1R2-, -O-, -S- or -NR3- and R1, R2and R3 are independently selected from H, D and C1 - C12 alkyl.

  化合物公式（I）的S-腺苷基-L-甲硫氨酸类似物，其中R包括碳-碳双键，碳-氧双键，碳-硫双键，碳-氮双键，碳-碳三键，碳-氮三键或β-位于亚砜中心的芳香环烃或杂环系统，X是携带一个或多个负电荷的有机或无机阴离子，Z是-CR1R2-，-O-，-S-或-NR3-，其中R1，R2和R3独立选择自H，D和C1-C12烷基。
• NEW S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES
  申请人：RWTH Aachen

  公开号：EP1874790A2

  公开（公告）日：2008-01-09
• S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES
  申请人：Weinhold Elmar

  公开号：US20090018101A1

  公开（公告）日：2009-01-15

  S-Adenosyl- L -methionine analogs of formula (I) wherein 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 or an aromatic carbocyclic or heterocyclic system in β-position to the sulfonium center, X— is an organic or inorganic anion carrying one or more negative charges, Z is —CR 1 R 2 —, —O—, —S— or —NR 3 — and R 1 , R 2 and R 3 are independently selected from H, D and C 1 -C 12 alkyl. Also disclosed are complexes of the compound with a methyltransferase, pharmaceutical compositions comprising the same, methods for modifying biomolecule using the compound, and methods for detecting sequences specific methylation of biomolecules using the compound.
• US8008007B2
  申请人：——

  公开号：US8008007B2

  公开（公告）日：2011-08-30
• [EN] NEW S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES<br/>[FR] NOUVEAUX ANALOGUES DE S-ADENOSYL-L-METHIONINE COMPORTANT DES GROUPES ACTIVES RALLONGES DESTINES A ETRE TRANSFERES PAR DES METHYLTRANSFERASES
  申请人：RWTH AACHEN

  公开号：WO2006108678A2

  公开（公告）日：2006-10-19

  [EN] S-Adenosyl-L-methionine analogs of formula (I) wherein 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 or an aromatic carbocyclic or heterocyclic system in ß-position to the sulfonium center, X^- is an organic or inorganic anion carrying one or more negative charges, Z is -CR¹R²-, -O-, -S- or -NR³- and R¹, R² and R³ are independently selected from H, D and C₁-C₁₂alkyl.
  [FR] L'invention concerne des analogues de S-adénosyl-L-méthionine représentés par la formule (I), dans laquelle R comprend une liaison double carbone-carbone, une liaison double carbone-oxygène, une liaison double carbone-soufre, une liaison double carbone-azote, une liaison triple carbone-carbone, une liaison triple carbone-azote ou un système aromatique carbocyclique ou hétérocyclique en position ß par rapport au centre sulfonium; X^- représente un anion organique ou inorganique portant une ou plusieurs charges négatives; Z représente -CR¹R²-, -O-, -S- ou -NR³-, et R¹, R² et R³ sont sélectionnés indépendamment dans le groupe comprenant H, D et alkyle en C₁-C₁₂.