(R)-2-[2,7-Dichloro-6-methyl-4-(4-methyl-piperidin-1-ylmethyl)-quinolin-3-ylmethyl]-5-ethyl-5-hydroxy-2,5,6,9-tetrahydro-8-oxa-2-aza-benzocycloheptene-1,7-dione | 220998-09-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (R)-2-[2,7-Dichloro-6-methyl-4-(4-methyl-piperidin-1-ylmethyl)-quinolin-3-ylmethyl]-5-ethyl-5-hydroxy-2,5,6,9-tetrahydro-8-oxa-2-aza-benzocycloheptene-1,7-dione
• 英文别名: (5R)-8-[[2,7-dichloro-6-methyl-4-[(4-methylpiperidin-1-yl)methyl]quinolin-3-yl]methyl]-5-ethyl-5-hydroxy-1,4-dihydrooxepino[3,4-c]pyridine-3,9-dione
• CAS: 220998-09-4
• 化学式: C₂₉H₃₃Cl₂N₃O₄
• 分子量: 558.505
• InChiKey: ZMLJXSCAYVZFFT-GDLZYMKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  83
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (R)-2-[2,7-Dichloro-6-methyl-4-(4-methyl-piperidin-1-ylmethyl)-quinolin-3-ylmethyl]-5-ethyl-5-hydroxy-2,5,6,9-tetrahydro-8-oxa-2-aza-benzocycloheptene-1,7-dione 在 palladium diacetate 、 potassium acetate 、 三苯基膦 作用下， 以 乙腈 为溶剂， 以70%的产率得到1H-茚-1,2-二胺,2,3-二氢-,(1S,2S)-
  参考文献：
  名称：

  BN 80927: A novel homocamptothecin with inhibitory activities on both topoisomerase I and topoisomerase II

  摘要：

  BN 80927, a novel homocamptothecin derivative, inhibits both topoisomerase I and topoisomerase II mediated DNA relaxation and shows pronounced cytotoxicity against HT29, SKOV-3, DU145 and MCF7 human tumor cell lines. (C) 1999 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(99)00428-x
• 作为产物：
  描述：

  (+)-5-ethyl-5-hydroxy-1-methoxy-5,9-dihydro-8-oxa-2-aza-benzocyclohepten-7(6H)-one 在 碘代三甲硅烷 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 正己烷 、 乙腈 为溶剂， 生成 (R)-2-[2,7-Dichloro-6-methyl-4-(4-methyl-piperidin-1-ylmethyl)-quinolin-3-ylmethyl]-5-ethyl-5-hydroxy-2,5,6,9-tetrahydro-8-oxa-2-aza-benzocycloheptene-1,7-dione
  参考文献：
  名称：

  BN 80927: A novel homocamptothecin with inhibitory activities on both topoisomerase I and topoisomerase II

  摘要：

  BN 80927, a novel homocamptothecin derivative, inhibits both topoisomerase I and topoisomerase II mediated DNA relaxation and shows pronounced cytotoxicity against HT29, SKOV-3, DU145 and MCF7 human tumor cell lines. (C) 1999 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(99)00428-x

文献信息

• Bioorg. Med. Chem. Lett. 1999, 9, 2599-2602
  作者：

  DOI：——

  日期：——