methyl 2-[[(2S)-5-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetate | 1351636-82-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 2-[[(2S)-5-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetate
• CAS: 1351636-82-2
• 化学式: C₂₃H₄₄N₄O₉
• 分子量: 520.624
• InChiKey: AYSJKSHBQHARJQ-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  36
• 可旋转键数：
  23
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  177
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  Boc-Glu(OBzl)-Gly-OMe 在 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 21.75h， 生成 methyl 2-[[(2S)-5-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]acetate
  参考文献：
  名称：

  [EN] REPROGRAMMING UROKINASE INTO AN ANTIBODY-RECRUITING ANTICANCER AGENT
  [FR] REPROGRAMMATION DE L'UROKINASE EN UN AGENT ANTICANCÉREUX DE RECRUTEMENT D'ANTICORPS

  摘要：

  本发明涉及嵌合（最好是双功能）化合物，包括这些化合物的组合物和治疗患者或受试者的癌症的方法，特别是包括转移性癌症，其中癌细胞表现出细胞表面尿激酶型纤溶酶原激活剂受体（尿激酶受体）的过度表达（高表达）与正常（非癌细胞）细胞相比。这些化合物最好与尿激酶受体共价结合，并招募患者或受试者的天然抗体，其中这些抗体可以通过抗体依赖性细胞吞噬和/或抗体依赖性细胞细胞毒作用（ADCC）选择性地降解和/或失活靶向癌细胞，针对大量和各种癌症，从而提供癌细胞死亡和/或抑制癌症的生长、发展和/或转移，包括患者癌症的缓解和治愈。

  公开号：

  WO2013070688A1

文献信息

• Reprogramming urokinase into an antibody-recruiting anticancer agent
  申请人：YALE UNIVERSITY

  公开号：US10961527B2

  公开（公告）日：2021-03-30

  The present invention relates to chimeric (preferably, bifunctional) compounds, compositions comprising those compounds and methods of treating cancer in a patient or subject, especially including metastatic cancer where cancer cells exhibit overexpression (heightened expression) of cell surface urokinase-type plasminogen activator receptor (urokinase receptor) compared to normal (non-cancerous) cells. The compounds preferably covalently bind to the urokinase receptor and recruit native antibodies of the patient or subject where the antibodies can selectively degrade and/or deactivate targeted cancer cells through antibody-dependent cellular phagocytosis and/or antibody-dependent cellular cytotoxicity (ADCC) against a large number and variety of cancers, thus providing cancer cell death and/or an inhibition of growth, elaboration and/or metastasis of the cancer, including remission and cure of the patient's cancer.

  本发明涉及嵌合（最好是双功能）化合物、包含这些化合物的组合物以及治疗患者或受试者癌症的方法，特别是包括转移性癌症，与正常（非癌症）细胞相比，癌细胞表现出细胞表面尿激酶型纤溶酶原激活剂受体（尿激酶受体）的过度表达（表达增强）。这些化合物优选与尿激酶受体共价结合，并招募患者或受试者的原生抗体，其中的抗体可通过抗体依赖性细胞吞噬和/或抗体依赖性细胞细胞毒性（ADCC）选择性地降解和/或使靶向癌细胞失活，以对抗大量和多种癌症，从而导致癌细胞死亡和/或抑制癌症的生长、恶化和/或转移，包括缓解和治愈患者的癌症。
• REPROGRAMMING UROKINASE INTO AN ANTIBODY-RECRUITING ANTICANCER AGENT
  申请人：YALE UNIVERSITY

  公开号：US20140308342A1

  公开（公告）日：2014-10-16

  The present invention relates to chimeric (preferably, bifunctional) compounds, compositions comprising those compounds and methods of treating cancer in a patient or subject, especially including metastatic cancer where cancer cells exhibit overexpression (heightened expression) of cell surface urokinase-type plasminogen activator receptor (urokinase receptor) compared to normal (non-cancerous) cells. The compounds preferably covalently bind to the urokinase receptor and recruit native antibodies of the patient or subject where the antibodies can selectively degrade and/or deactivate targeted cancer cells through antibody-dependent cellular phagocytosis and/or antibody-dependent cellular cytotoxicity (ADCC) against a large number and variety of cancers, thus providing cancer cell death and/or an inhibition of growth, elaboration and/or metastasis of the cancer, including remission and cure of the patient's cancer.