| 139924-12-2

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 核苷和核苷酸类似物
• CAS: 139924-12-2
• 化学式: C₆₅H₇₃N₁₆O₃₁P₃
• 分子量: 1667.3
• InChiKey: UAQJCEFDAPOBRR-RXOIUSMTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.44
• 重原子数：
  115.0
• 可旋转键数：
  27.0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  690.82
• 氢给体数：
  13.0
• 氢受体数：
  41.0

反应信息

• 作为反应物：
  描述：

  反应 0.08h， 生成 {8-Acetoxy-2-[(E)-2-(2-amino-6-oxo-1,6-dihydro-purin-7-yl)-1-hydroxy-1-methyl-pent-3-enyl]-12-hydroxy-4,11-dioxo-8,9,10,11-tetrahydro-4H-1-oxa-benzo[a]anthracen-5-yl}-acetic acid 、
  参考文献：
  名称：

  DNA cleavage reaction of antitumour antibiotic, kapurimycin A3, with deoxytetranucleotide d(CGCG)2

  摘要：

  Kapurimycin A3 (kap A3, 1), an antitumour antibiotic, alkylates N7 of guanine2 (G2) and G4 of d(C1G2C3G4)2 to produce their covalent adducts 2 (64 %) and 3 (7.0 %), respectively. Heating at 90-degrees-C for 5 min degraded both adducts to kap A3 - G adduct (5) with the concurrent release of their respective abasic-site containing oligomers 4 and 6.

  DOI：

  10.1016/0040-4039(91)80574-p
• 作为产物：
  描述：

  5'-d(CpGpCpG) 、 Kapurimycin A3 在 sodium cacodylate buffer 作用下， 反应 40.0h， 以64.0%的产率得到
  参考文献：
  名称：

  DNA cleavage reaction of antitumour antibiotic, kapurimycin A3, with deoxytetranucleotide d(CGCG)2

  摘要：

  Kapurimycin A3 (kap A3, 1), an antitumour antibiotic, alkylates N7 of guanine2 (G2) and G4 of d(C1G2C3G4)2 to produce their covalent adducts 2 (64 %) and 3 (7.0 %), respectively. Heating at 90-degrees-C for 5 min degraded both adducts to kap A3 - G adduct (5) with the concurrent release of their respective abasic-site containing oligomers 4 and 6.

  DOI：

  10.1016/0040-4039(91)80574-p