(3R,S)-3-(9-fluorenyl-methoxycarbonylamino)-3-phenyl-propionic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: (3R,S)-3-(9-fluorenyl-methoxycarbonylamino)-3-phenyl-propionic acid
• 英文别名: 3-(phenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid；3-[9H-fluoren-9-yl(methoxycarbonyl)amino]-3-phenylpropanoic acid
• 化学式: C₂₄H₂₁NO₄
• 分子量: 387.435
• InChiKey: KRZWODUPNJTWHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3R,S)-3-(9-fluorenyl-methoxycarbonylamino)-3-phenyl-propionic acid 、 3-溴苯磺酰氯 、 3-硝基苯硼酸 、 20(S)-20-O-[N^ε-(fluorenyl-9-methoxycarbonyl)lysylvalyl]camptothecin trifluoroacetate 生成 3-[[3-[3-[[(2S)-1-[[(2S)-1-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-3-methyl-1-oxobutan-2-yl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxohexan-2-yl]carbamoylamino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
  参考文献：
  名称：

  Integrin-Mediated drug targeting

  摘要：

  本发明涉及细胞毒药物，由于与αvβ3整合素拮抗剂通过优选连接单元的连接而具有肿瘤特异性作用。优选连接单元保证细胞毒药物和αvβ3整合素拮抗剂的结合物在血清中的稳定性，同时由于它们在肿瘤细胞内的酶解或水解性而释放细胞毒药物，从而实现所需的细胞内作用。

  公开号：

  US20060189544A1

文献信息

• Urea and urethane derivatives as integrin inhibitors
  申请人：——

  公开号：US20040063644A1

  公开（公告）日：2004-04-01

  Novel urea and urethane derivatives of general formula (I) in which R1, R2, R3, R5, R5′, X, Y, B, m, n and o are as defined in Patent claim 1, and physiologically acceptable salts or solvates thereof are integrin inhibitors and can be employed for combating thromboses, cardiac infarction, coronary heart disease, arteriosclerosis, inflammation, tumours. Osteoporosis, infections and restenosis after angioplasty or in pathological processes maintained or propagated by antiogenesis.

  通式（I）的新型脲和脲醚衍生物，其中R1、R2、R3、R5、R5'、X、Y、B、m、n和o如专利权要求书1中所定义，并且其生理上可接受的盐或溶剂化物是整合素抑制剂，可用于抗击血栓、心肌梗塞、冠心病、动脉硬化、炎症、肿瘤、骨质疏松症、感染和在抗血管生成维持或传播的病理过程中的再狭窄治疗。
• UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS
  申请人：MERCK PATENT GmbH

  公开号：EP1343764A1

  公开（公告）日：2003-09-17
• US7135587B2
  申请人：——

  公开号：US7135587B2

  公开（公告）日：2006-11-14
• [EN] UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS<br/>[FR] DERIVES D'UREE AND D'URETHANNE EN TANT QU'INHIBITEURS DE L'INTEGRINE
  申请人：MERCK PATENT GMBH

  公开号：WO2002050039A1

  公开（公告）日：2002-06-27

  Novel urea and urethane derivatives of general formula (I) in which R?1, R2, R3, R5, R5'¿, X, Y, B, m, n and o are as defined in Patent Claim 1, and physiologically acceptable salts or solvates thereof are integrin inhibitors and can be employed for combating thromboses, cardiac infarction, coronary heart disease, arteriosclerosis, inflammation, tumours. Osteoporosis, infections and restenosis after angioplasty or in pathological processes maintained or propagated by antiogenesis.
• Integrin-Mediated drug targeting
  申请人：Lerchen Hans-Georg

  公开号：US20060189544A1

  公开（公告）日：2006-08-24

  The present invention relates to cytostatics which have a tumour-specific action as a result of linkage to α v β 3 integrin antagonists via preferred linking units. The preferred linking units guarantee serum stability of the conjugate of cytostatic and α v β 3 integrin antagonist and at the same time the desired intracellular action in tumour cells as a result of their enzymatic or hydrolytic cleavability with release of the cytostatic.

  本发明涉及细胞毒药物，由于与αvβ3整合素拮抗剂通过优选连接单元的连接而具有肿瘤特异性作用。优选连接单元保证细胞毒药物和αvβ3整合素拮抗剂的结合物在血清中的稳定性，同时由于它们在肿瘤细胞内的酶解或水解性而释放细胞毒药物，从而实现所需的细胞内作用。