[3-(6-Amino-benzo[1,3]dioxol-5-yl)-3-oxo-propyl]-propyl-carbamic acid benzyl ester | 256411-63-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [3-(6-Amino-benzo[1,3]dioxol-5-yl)-3-oxo-propyl]-propyl-carbamic acid benzyl ester
• 英文别名: benzyl N-[3-(6-amino-1,3-benzodioxol-5-yl)-3-oxopropyl]-N-propylcarbamate
• CAS: 256411-63-9
• 化学式: C₂₁H₂₄N₂O₅
• 分子量: 384.432
• InChiKey: JTDDIDPXCVTDKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.62
• 重原子数：
  28.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  91.09
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [3-(6-Amino-benzo[1,3]dioxol-5-yl)-3-oxo-propyl]-propyl-carbamic acid benzyl ester 在 碘代三甲硅烷 、 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 (5S)-5-ethyl-5-hydroxy-14-[2-(propylamino)ethyl]-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
  参考文献：
  名称：

  BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF

  摘要：

  A bioactive substance conjugate, a preparation method therefor and the use thereof. The present invention relates to ligand drug conjugates, as represented by formula XV, a preparation method therefor, and the use thereof in the prevention and/or treatment of diseases related to cell activity abnormality, including, but not limited to, the use in the prevention and/or treatment of tumor diseases. Tb-[-L 1 -L 2 -L 3 -L 4 -D] q Formula XV

  公开号：

  US20240108745A1
• 作为产物：
  描述：

  氯甲酸苄酯 在 铁粉 、 氯化铵 作用下， 以 乙醇 、 水 为溶剂， 反应 15.0h， 生成 [3-(6-Amino-benzo[1,3]dioxol-5-yl)-3-oxo-propyl]-propyl-carbamic acid benzyl ester
  参考文献：
  名称：

  BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF

  摘要：

  A bioactive substance conjugate, a preparation method therefor and the use thereof. The present invention relates to ligand drug conjugates, as represented by formula XV, a preparation method therefor, and the use thereof in the prevention and/or treatment of diseases related to cell activity abnormality, including, but not limited to, the use in the prevention and/or treatment of tumor diseases. Tb-[-L 1 -L 2 -L 3 -L 4 -D] q Formula XV

  公开号：

  US20240108745A1

文献信息

• Synthesis and in vitro cytotoxicity of hexacyclic camptothecin analogues
  作者：Sang-sup Jew、Hee-Jin Kim、Myoung Goo Kim、Eun-Young Roh、Chung Il Hong、Joon-Kyum Kim、Jun-Hee Lee、Heesoon Lee、Hyeung-geun Park

  DOI：10.1016/s0960-894x(99)00555-7

  日期：1999.11

  A series of C(7)-N-alkylaminoethyl-C(10), C(11)-methylenedioxy- and ethylenedioxy-camptothecin (3a-g, 4a-h) were prepared. Their syntheses and in vitro cytotoxicity were reported. Among 15 derivatives, 3a and 3b showed more potent cytotoxicity than Camptothecin, especially in CAOV-3 cell line. (C) 1999 Elsevier Science Ltd. All rights reserved.