Boc-His-OCH2Ph | 31321-61-6

• 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: Boc-His-OCH2Ph
• 英文别名: N-(tert-butoxycarbonyl)-L-histidine benzyl ester；N^α-tert-butoxycarbonyl-histidine benzyl ester；benzyl (2S)-3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• CAS: 31321-61-6
• 化学式: C₁₈H₂₃N₃O₄
• 分子量: 345.398
• InChiKey: JBYQOICCUFQVRE-HNNXBMFYSA-N

物化性质

• 沸点：
  569.2±50.0 °C(Predicted)
• 密度：
  1.206±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  93.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [(2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methaneseleninic acid 、 Boc-His-OCH2Ph 以 二氯甲烷 为溶剂， 反应 24.0h， 以56%的产率得到(2S,3S,4S,5R,6S)-2-(((4-((S)-3-(benzyloxy)-2-((tert-butoxycarbonyl)amino)-3-oxopropyl)-1H-imidazol-5-yl)selanyl)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triyl triacetate
  参考文献：
  名称：

  仿生硒酸盐和硒酸盐

  摘要：

  据报道，通过 DMDO 氧化相应的硒酸酯，合成了各种吡喃糖、核苷、（氨基酸）和多羟基硒酸和硒酸，以及硒酸和硒酸官能团与在蛋白质和酶活性位点中发现的生物亲核基团（巯基、吲哚、苯酚、咪唑、甲酰胺）。

  DOI：

  10.1021/ja8034448

文献信息

• Cytostatic-integrin conjugates having specifically cleavable linking units
  申请人：——

  公开号：US20020183256A1

  公开（公告）日：2002-12-05

  The present invention relates to cytostatics which have a tumor-specific action as a result of linkage to &agr; v &bgr; 3 integrin antagonists via preferred linking units which can be selevtively cleaved by enzymes such as metallo matrixproteases (MMPs), i.e. by enzymes which can especially be found in tumor tissue. The preferred linking units guarantee the serum stability of the conjugate of cytostatic and &agr; v &bgr; 3 integrin antagonist and, at the same time, the desired intracellular action within tumor cells as a result of its specific enzymatic or hydrolytic cleavability with release of the cytostatic.

  该发明涉及细胞毒药物，由于与αvβ3整合素拮抗剂通过首选连接单元的连接而具有肿瘤特异性作用，这些连接单元可以被金属基质蛋白酶（MMPs）等酶选择性地裂解，即可以在肿瘤组织中特别发现的酶。首选连接单元保证了细胞毒药物和αvβ3整合素拮抗剂的结合物的血清稳定性，并同时由于其特异性酶解或水解可释放细胞毒药物而在肿瘤细胞内产生所需的细胞内作用。
• Cytostatic-glycoconjugates having specifically cleavable linking units
  申请人：——

  公开号：US20020173452A1

  公开（公告）日：2002-11-21

  The present invention relates to cytostatics which have a tumor-specific action as a result of linkage to specific carbohydrate moeities via preferred linking units which can be selevtively cleaved by enzymes such as metallo matrixproteases (MMPs), elastase or cathepsines, i.e. by enzymes which can especially be found in tumor tissue. The preferred linking units guarantee sufficient serum stability of the conjugate of cytostatic and carbohydrate moeity and, at the same time, the desired intracellular action within tumor cells as a result of its specific enzymatic or hydrolytic cleavability with release of the cytostatic.

  本发明涉及细胞毒素，其通过与特定的碳水化合物结合单元连接，由于这些连接单元可被金属基质蛋白酶（MMPs）、弹性蛋白酶或半胱氨酸蛋白酶等酶类选择性地裂解，因此具有肿瘤特异性作用。所述优选的连接单元保证了细胞毒素与碳水化合物结合物的足够血清稳定性，并且由于其特定的酶促或水解性裂解而在肿瘤细胞内发挥所需的细胞内作用，从而释放细胞毒素。这些酶类尤其存在于肿瘤组织中。
• Conjugates of integrin receptor antagonists and a cytostatic agent having specifically cleavable linking units
  申请人：Bayer Aktiengesellschaft

  公开号：EP1219305A1

  公开（公告）日：2002-07-03

  The present invention relates to cytostatics which have a tumor-specific action as a result of linkage to αvβ3 integrin antagonists via preferred linking units which can be selectively cleaved by enzymes such as metallo matrixproteases (MMPs), i.e. by enzymes which can especially be found in tumor tissue. The preferred linking units guarantee the serum stability of the conjugate of cytostatic and αvβ3 integrin antagonist and, at the same time, the desired intracellular action within tumour cells as a result of its specific enzymatic or hydrolytic cleavability with release of the cytostatic.

  本发明涉及一种细胞抑制剂，它通过优选的连接单元与αvβ3整合素拮抗剂连接，从而具有肿瘤特异性作用，这种连接单元可被金属基蛋白酶（MMPs）等酶选择性地裂解，即被特别存在于肿瘤组织中的酶裂解。优选的连接单元保证了细胞抑制剂和 αvβ3 整合素拮抗剂共轭物在血清中的稳定性，同时，由于其特定的酶或水解裂解能力，可释放出细胞抑制剂，从而在肿瘤细胞内发挥理想的细胞内作用。
• Cytostatic-glycoconjugates having specifically cleavable peptidic linking units
  申请人：Bayer Aktiengesellschaft

  公开号：EP1219634A1

  公开（公告）日：2002-07-03

  The present invention relates to cytostatics which have a tumor-specific action as a result of linkage to specific carbohydrate moeities via preferred linking units which can be selevtively cleaved by enzymes such as metallo matrixproteases (MMPs), elastase or cathepsines, i.e. by enzymes which can especially be found in tumor tissue. The preferred linking units guarantee sufficient serum stability of the conjugate of cytostatic and carbohydrate moeity and, at the same time, the desired intracellular action within tumour cells as a result of its specific enzymatic or hydrolytic cleavability with release of the cytostatic.

  本发明涉及一种细胞抑制剂，它通过优选的连接单元与特定的碳水化合物连接，从而具有肿瘤特异性作用，这种连接单元可被金属基蛋白酶（MMPs）、弹性蛋白酶或蛋白酶等酶，即特别是在肿瘤组织中发现的酶有效地裂解。优选的连接单元可保证细胞抑制剂和碳水化合物共轭物在血清中具有足够的稳定性，同时，由于其特定的酶或水解裂解性，可释放出细胞抑制剂，从而在肿瘤细胞内发挥理想的细胞内作用。
• CONJUGATES OF INTEGRIN RECEPTOR ANTAGONISTS AND A CYTOSTATIC AGENT HAVING SPECIFICALLY CLEAVABLE LINKING UNITS
  申请人：Bayer Aktiengesellschaft

  公开号：EP1347783A1

  公开（公告）日：2003-10-01