1-(1,3-Benzodioxol-5-yl)-3-(propan-2-ylamino)propan-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1-(1,3-Benzodioxol-5-yl)-3-(propan-2-ylamino)propan-1-one
• 英文别名: 1-(1,3-benzodioxol-5-yl)-3-(propan-2-ylamino)propan-1-one
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: PWQMVSWSGDSNSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(1,3-Benzodioxol-5-yl)-3-(propan-2-ylamino)propan-1-one 在 palladium 10% on activated carbon 、 氢气 、 硝酸 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 生成 1-(6-aminobenzo[d][1,3]dioxol-5-yl)-3-(isopropylamino)propan-1-one
  参考文献：
  名称：

  ANTIBODY-DRUG CONJUGATES AND PREPARATION METHODS AND USE THEREOF

  摘要：

  Provided is an antibody-drug conjugate and its preparation methods and use, and specifically is an antibody-drug conjugate for treating HER3-positive cancers. Provided is a fully human HER3 antibody, which has excellent binding activity to HER3-positive cells and can efficiently deliver drugs to HER3-positive cells. Provided is a drug-linker molecule coupled to the antibody, and the drug comprises a DNA topoisomerase inhibitor. The obtained antibody-drug conjugate has a better drug-to-antibody ratio, and has a good targeted killing effect on colon cancer, gastric cancer, breast cancer, and lung cancer (e.g., non-small cell lung cancer, specifically, lung adenocarcinoma). Provided is a preparation method for the antibody-drug conjugate and application of the antibody-drug conjugate in the treatment of a HER3-positive cancer.

  公开号：

  WO2023208216A1