4-(6-aminohexylamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one | 128131-42-0

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 4-(6-aminohexylamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
• CAS: 128131-42-0
• 化学式: C₁₆H₂₈N₄O₄
• 分子量: 340.423
• InChiKey: OHWHTZUIXUZFIS-BFHYXJOUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  120
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,5-dioxopyrrolidin-1-yl 4-bromobenzoate 、 4-(6-aminohexylamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one 以 N,N-二甲基甲酰胺 为溶剂， 以49%的产率得到5-methyl-4-N-[6-(p-bromobenzoylamino)hex-1-yl]-2'-O-deoxycytidine
  参考文献：
  名称：

  Synthesis of 5-Methyl-2′-O-Deoxycytidine Analogs to Determine Monoclonal Antibody Specificity in the Recognition of the 6-(p-Bromobenzoylamino) Caproyl Radical

  摘要：

  Eight new p-bromobenzoyl derivatives of 5-methyl-2'-O-deoxycytidine analogs, substituted at the Lt-position, were synthesized. The best conditions for obtaining 5-methyl-4-N-aminoalkyl-2'-O-deoxycytidine from 3',5'-di-O-acetyl-4-(1,2,4-triazol-1-yl)-2'-O-deoxythymidine were studied. The nucleoside analogs were used to identify the fragment of the 6-(p-bromobenzoylamino)caproyl radical that binds to the monoclonal antibody obtained against it and to define an affinity scale of monoclonal antibody against them.

  DOI：

  10.1080/07328319708001362
• 作为产物：
  描述：

  beta-胸苷 在 TEA 、 氨 、 草酸 、 三氯氧磷 作用下， 以 吡啶 、 乙腈 为溶剂， 生成 4-(6-aminohexylamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
  参考文献：
  名称：

  Synthesis of 5-Methyl-2′-O-Deoxycytidine Analogs to Determine Monoclonal Antibody Specificity in the Recognition of the 6-(p-Bromobenzoylamino) Caproyl Radical

  摘要：

  Eight new p-bromobenzoyl derivatives of 5-methyl-2'-O-deoxycytidine analogs, substituted at the Lt-position, were synthesized. The best conditions for obtaining 5-methyl-4-N-aminoalkyl-2'-O-deoxycytidine from 3',5'-di-O-acetyl-4-(1,2,4-triazol-1-yl)-2'-O-deoxythymidine were studied. The nucleoside analogs were used to identify the fragment of the 6-(p-bromobenzoylamino)caproyl radical that binds to the monoclonal antibody obtained against it and to define an affinity scale of monoclonal antibody against them.

  DOI：

  10.1080/07328319708001362

文献信息

• Sobkowski, Michal; Kraszewski, Adam; Stawinski, Jacek, Nucleosides and Nucleotides, 1998, vol. 17, # 1-3, p. 253 - 267
  作者：Sobkowski, Michal、Kraszewski, Adam、Stawinski, Jacek

  DOI：——

  日期：——
• ROGET, ANDRE;TEOULE, ROBERT;BAZIN, HERVE
  作者：ROGET, ANDRE、TEOULE, ROBERT、BAZIN, HERVE

  DOI：——

  日期：——