2-[decylsulfonyl-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2-[decylsulfonyl-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetic acid
• 化学式: C₂₉H₄₀N₂O₆S
• 分子量: 544.7
• InChiKey: UETSMAHNLDMOBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  38
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• PEPTIDES FOR THE TREATMENT OF CANCER
  申请人：H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

  公开号：US20150071918A1

  公开（公告）日：2015-03-12

  The invention relates to novel cyclic compounds (cyclic peptides), linkers useful as beta-turn promoters in cyclic peptides, and methods for treatment of malignant cells in vitro or in vivo using one or more linear and cyclic peptides. The peptides can act as integrin interaction inhibitors and may be used in the treatment of cancers as monotherapies or in combination with other anti-cancer agents, such as proteasome inhibitors, inhibitors of autophagy, alkylating agents, MEK inhibitors, FAK/PYK2 inhibitors, and EGFR inhibitors. The invention further concerns a method of predicting the binding of a cyclic or linear HYD1 peptide to a cancer cell by assessing overexpression of biomarkers such as CD44, VLA-4 integrin, basigin, CD138 (syndecan 1), NCAM, ICAM1, ICAM3, and CD59. The invention further concerns a method of detecting one or more members of a complex comprising CD44, VLA-4 integrin, basigin, CD138 (syndecan 1), NCAM, ICAM1, ICAM3, and CD59, using a linear or cyclic HYD1 peptide bearing a detectable moiety.

  本发明涉及新型环状化合物（环状肽）、在环状肽中作为β-转角促进剂有用的连接剂，以及使用一种或多种线性和环状肽治疗体外或体内恶性细胞的方法。这些肽可以作为整合素相互作用抑制剂，并可用于单独治疗或与其他抗癌药物（如蛋白酶体抑制剂、自噬抑制剂、烷化剂、MEK抑制剂、FAK/PYK2抑制剂和EGFR抑制剂）联合治疗癌症。本发明进一步涉及通过评估过表达的生物标志物（如CD44、VLA-4整合素、basigin、CD138（syndecan 1）、NCAM、ICAM1、ICAM3和CD59）来预测环状或线性HYD1肽与癌细胞结合的方法。本发明还涉及一种使用带有可检测基团的线性或环状HYD1肽检测CD44、VLA-4整合素、basigin、CD138（syndecan 1）、NCAM、ICAM1、ICAM3和CD59复合物中一种或多种成员的方法。
• [EN] PEPTIDES FOR THE TREATMENT OF CANCER<br/>[FR] PEPTIDES POUR LE TRAITEMENT DU CANCER
  申请人：H LEE MOFFITT CANCER CT & RES

  公开号：WO2013170066A1

  公开（公告）日：2013-11-14

  The invention relates to novel cyclic compounds (cyclic peptides), linkers useful as beta-turn promoters in cyclic peptides, and methods for treatment of malignant cells in vitro or in vivo using one or more linear and cyclic peptides. The peptides can act as integrin interaction inhibitors and may be used in the treatment of cancers as monotherapies or in combination with other anti-cancer agents, such as proteasome inhibitors, inhibitors of autophagy, alkylating agents, MEK inhibitors, FAK/PYK2 inhibitors, and EGFR inhibitors. The invention further concerns a method of predicting the binding of a cyclic or linear HYD1 peptide to a cancer cell by assessing overexpression of biomarkers such as CD44, VLA-4 integrin, basigin, CD138 (syndecan 1), NCAM, ICAM1, ICAM3, and CD59. The invention further concerns a method of detecting one or more members of a complex comprising CD44, VLA-4 integrin, basigin, CD138 (syndecan 1), NCAM, ICAM1, ICAM3, and CD59, using a linear or cyclic HYD1 peptide bearing a detectable moiety.