O-benzyl-N-(10-hydroxydecyl) carbamate | 96409-12-0

• 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: O-benzyl-N-(10-hydroxydecyl) carbamate
• 英文别名: 10-(Carbobenzoxyamino)-1-decanol；benzyl N-(10-hydroxydecyl)carbamate
• CAS: 96409-12-0
• 化学式: C₁₈H₂₉NO₃
• 分子量: 307.433
• InChiKey: LVVONOSXQOAUJU-UHFFFAOYSA-N

物化性质

• 沸点：
  461.0±28.0 °C(Predicted)
• 密度：
  1.034±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  O-benzyl-N-(10-hydroxydecyl) carbamate 在 四溴化碳 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以92%的产率得到O-benzyl-N-(10-bromodecyl) carbamate
  参考文献：
  名称：

  [EN] RADIOPHARMACEUTICAL CONJUGATE OF A METABOLITE AND AN EPR AGENT, FOR TARGETING TUMOUR CELLS
  [FR] CONJUGUÉS RADIOPHARMACEUTIQUES

  摘要：

  公开号：

  WO2016046793A3
• 作为产物：
  描述：

  10-溴-1-癸醇 在 sodium carbonate 、 一水合肼 作用下， 以 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 40.0h， 生成 O-benzyl-N-(10-hydroxydecyl) carbamate
  参考文献：
  名称：

  [EN] RADIOPHARMACEUTICAL CONJUGATE OF A METABOLITE AND AN EPR AGENT, FOR TARGETING TUMOUR CELLS
  [FR] CONJUGUÉS RADIOPHARMACEUTIQUES

  摘要：

  公开号：

  WO2016046793A3

文献信息

• Radiopharmaceutical conjugate of a metabolite and an EPR agent, for targeting tumour cells
  申请人：The South African Nuclear Energy Corporation Limited

  公开号：US10874753B2

  公开（公告）日：2020-12-29

  This invention relates new radiopharmaceutical conjugates for use in improved methods of diagnosis and treatment of cancer. The radiopharmaceutical conjugate comprises, in sequence: a metabolite that targets tumour cells, bound to a chelating agent capable of containing a radionuclide, bound to a linker capable of binding with an EPR agent in vitro or in vivo; or a chelating agent capable of containing a radionuclide, bound to a metabolite that targets tumour cells, bound to a linker capable of binding with an EPR agent in vitro or in vivo. The radiopharmaceutical conjugates of the present invention provide active and passive targeted radio nuclide delivery systems that can help to improve the biodistribution and pharmacological toxicity of the radiopharmaceuticals used for the diagnosis and therapy of cancer.

  本发明涉及用于改进癌症诊断和治疗方法的新型放射性药物共轭物。放射性药物共轭物依次包括：一种靶向肿瘤细胞的代谢物，与一种能够包含放射性核素的螯合剂结合，与一种能够在体外或体内与 EPR 制剂结合的连接体结合；或一种能够包含放射性核素的螯合剂，与一种靶向肿瘤细胞的代谢物结合，与一种能够在体外或体内与 EPR 制剂结合的连接体结合。本发明的放射性药物共轭物提供了主动和被动的靶向放射性核素递送系统，有助于改善用于诊断和治疗癌症的放射性药物的生物分布和药理毒性。
• A Potent and Orally Active Antagonist (SM-406/AT-406) of Multiple Inhibitor of Apoptosis Proteins (IAPs) in Clinical Development for Cancer Treatment
  作者：Qian Cai、Haiying Sun、Yuefeng Peng、Jianfeng Lu、Zaneta Nikolovska-Coleska、Donna McEachern、Liu Liu、Su Qiu、Chao-Yie Yang、Rebecca Miller、Han Yi、Tao Zhang、Duxin Sun、Sanmao Kang、Ming Guo、Lance Leopold、Dajun Yang、Shaomeng Wang

  DOI：10.1021/jm101505d

  日期：2011.4.28

  We report the discovery and characterization of SM-406 (compound 2), a potent and orally bioavailable Smac mimetic and an antagonist of the inhibitor of apoptosis proteins (IAPs). This compound binds to XIAP, cIAP1, and cIAP2 proteins with K(i) of 66.4, 1.9, and 5.1 nM, respectively. Compound 2 effectively antagonizes XIAP BIR3 protein in a cell-free functional assay, induces rapid degradation of cellular cIAP1 protein, and inhibits cancer cell growth in various human cancer cell lines. It has good oral bioavailability in mice, rats, non-human primates, and dogs, is highly effective in induction of apoptosis in xenograft tumors, and is capable of complete inhibition of tumor growth. Compound 2 is currently in phase I clinical trials for the treatment of human cancer.
• RADIOPHARMACEUTICAL CONJUGATE OF A METABOLITE AND AN EPR AGENT, FOR TARGETING TUMOUR CELLS
  申请人：The South African Nuclear Energy Corporation Limited

  公开号：EP3197504A2

  公开（公告）日：2017-08-02
• RADIOPHARMACEUTICAL CONJUGATE
  申请人：The South African Nuclear Energy Corporation Limited

  公开号：US20170296684A1

  公开（公告）日：2017-10-19

  This invention relates new radiopharmaceutical conjugates for use in improved methods of diagnosis and treatment of cancer. The radiopharmaceutical conjugate comprises, in sequence: a metabolite that targets tumour cells, bound to a chelating agent capable of containing a radionuclide, bound to a linker capable of binding with an EPR agent in vitro or in vivo; or a chelating agent capable of containing a radionuclide, bound to a metabolite that targets tumour cells, bound to a linker capable of binding with an EPR agent in vitro or in vivo. The radiopharmaceutical conjugates of the present invention provide active and passive targeted radio nuclide delivery systems that can help to improve the biodistribution and pharmacological toxicity of the radiopharmaceuticals used for the diagnosis and therapy of cancer.
• [EN] RADIOPHARMACEUTICAL CONJUGATE<br/>[FR] CONJUGUÉS RADIOPHARMACEUTIQUES
  申请人：SOUTH AFRICAN NUCLEAR ENERGY

  公开号：WO2016046793A2

  公开（公告）日：2016-03-31

  This invention relates new radiopharmaceutical conjugates for use in improved methods of diagnosis and treatment of cancer. The radiopharmaceutical conjugate comprises, in sequence: a metabolite that targets tumour cells, bound to a chelating agent capable of containing a radionuclide.bound to a linker capable of binding with an EPR agent in vitro or in vivo; or a chelating agent capable of containing a radionuclide, bound to a metabolite that targets tumour cells, bound to a linker capable of binding with an EPR agent in vitro or in vivo. The radiopharmaceutical conjugates of the present invention provide active and passive targeted radionuclide delivery systems that can help to improve the biodistribution and pharmacological toxicity of the radiopharmaceuticals used for the diagnosis and therapy of cancer.