(1R,18S,21R,22S,23R)-22,23-dihydroxy-8-methyl-19,24-dioxa-2,4,6,8,16-pentazahexacyclo[19.2.1.02,18.05,17.07,15.09,14]tetracosa-5,7(15),9,11,13,16-hexaen-3-one | 185990-34-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: (1R,18S,21R,22S,23R)-22,23-dihydroxy-8-methyl-19,24-dioxa-2,4,6,8,16-pentazahexacyclo[19.2.1.02,18.05,17.07,15.09,14]tetracosa-5,7(15),9,11,13,16-hexaen-3-one
• CAS: 185990-34-5
• 化学式: C₁₈H₁₇N₅O₅
• 分子量: 383.363
• InChiKey: LTIWVNFCVIRBCQ-LKDOKBOTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  28
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  122
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (1R,18S,21R,22S,23R)-22,23-dihydroxy-8-methyl-19,24-dioxa-2,4,6,8,16-pentazahexacyclo[19.2.1.02,18.05,17.07,15.09,14]tetracosa-5,7(15),9,11,13,16-hexaen-3-one 在 sodium periodate 、 sodium cyanoborohydride 、 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成 (17R,19S,22S)-17,19-bis(diethylaminomethyl)-10,14-dimethyl-18,21-dioxa-2,10,12,14,16-pentazapentacyclo[11.9.0.03,11.04,9.016,22]docosa-1,3(11),4,6,8,12-hexaen-15-one
  参考文献：
  名称：

  Design and synthesis of 3,5-dialkylamino substituted 8H,10H-3(R),5(R),15b(S)-2,3,6,7-tetrahydro-1,5,3-dioxazepino[3,2-c]indolo[3,2-g]pteridine-7-ones

  摘要：

  3,5-Dialkylamino substituted 8H, 10H, 15b(S)-2,3,6,7-tetrahydro-1,5,3-dioxazepino[3,2-c]indolo[3,2-g]pteridine-7-one derivatives 6a-6e were synthesized as potential anticancer agents. Preliminary results showed that they were active as inhibitors of the growth of murine leukemia L1210 cells in vitro with IC50-values of 4 to 24 mu M. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10138-x
• 作为产物：
  描述：

  1-甲基靛红 、 5-amino-cytidine 以 乙醇 为溶剂， 以80%的产率得到(1R,18S,21R,22S,23R)-22,23-dihydroxy-8-methyl-19,24-dioxa-2,4,6,8,16-pentazahexacyclo[19.2.1.02,18.05,17.07,15.09,14]tetracosa-5,7(15),9,11,13,16-hexaen-3-one
  参考文献：
  名称：

  Design and synthesis of 3,5-dialkylamino substituted 8H,10H-3(R),5(R),15b(S)-2,3,6,7-tetrahydro-1,5,3-dioxazepino[3,2-c]indolo[3,2-g]pteridine-7-ones

  摘要：

  3,5-Dialkylamino substituted 8H, 10H, 15b(S)-2,3,6,7-tetrahydro-1,5,3-dioxazepino[3,2-c]indolo[3,2-g]pteridine-7-one derivatives 6a-6e were synthesized as potential anticancer agents. Preliminary results showed that they were active as inhibitors of the growth of murine leukemia L1210 cells in vitro with IC50-values of 4 to 24 mu M. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10138-x