(4-chloro-3,4-dihydro-2H-quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (4-chloro-3,4-dihydro-2H-quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
• 化学式: C₁₉H₁₇ClN₂O₂
• 分子量: 340.8
• InChiKey: FNMIWLJPAHYRGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  45.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Indoline and tetrahydro-quinolines as prodrugs for tumour treatment
  申请人：——

  公开号：US20040157880A1

  公开（公告）日：2004-08-12

  Compounds of the general formula I or IA or a salt in which X is H, Y is a leaving group, R 1 preferably being an aromatic DNA binding subunit are prodrug analogues of duocarmycin. The compounds are expected to be hydroxylated at the carbon atom to which X is joined, by cytochrome P450, in particular by CYP1B1, expressed at high levels in tumours. The prodrug is expected to be activated preferentially in tumour cells, where it will act as a DNA alkylating agent preventing cell division. 1

  通式为I或IA的化合物，或其中X为H，Y为离去基团，R1最好是芳香族DNA结合亚基的盐是杜卡霉素的前药类似物。预计这些化合物将在与X相结合的碳原子上被细胞色素P450，特别是CYP1B1水解，而CYP1B1在肿瘤中表达水平高。预计前药将优先在肿瘤细胞中被激活，它将作为DNA烷基化剂防止细胞分裂。
• INDOLINES AND TETRAHYDRO-QUINOLINES AS PRODRUGS FOR TUMOUR TREATMENT
  申请人：THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON

  公开号：EP1408970A1

  公开（公告）日：2004-04-21
• US7179921B2
  申请人：——

  公开号：US7179921B2

  公开（公告）日：2007-02-20
• [EN] INDOLINE AND TETRAHYDRO-QUINOLINES AS PRODRUGS FOR TUMOUR TREATMENT<br/>[FR] INDOLINE ET TETRAHYDRO-QUINOLINES COMME PROMEDICAMENTS DESTINES AU TRAITEMENT DE TUMEURS
  申请人：UNIV LONDON PHARMACY

  公开号：WO2002067937A1

  公开（公告）日：2002-09-06

  Compounds of the general formula I or IA or a salt in which X is H, Y is a leaving group, R1 preferably being an aromatic DNA binding subunit are prodrug analogues of duocarmycin. The compounds are expected to be hydroxylated at the carbon atom to which X is joined, by cytochrome P450, in particular by CYP1B1, expressed at high levels in tumours. The prodrug is expected to be activated preferentially in tumour cells, where it will act as a DNA alkylating agent preventing cell division.