4-(4-benzyloxy-phenyl)-3-tert-butoxycarbonylamino-butyric acid methyl ester | 127106-65-4

• 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: 4-(4-benzyloxy-phenyl)-3-tert-butoxycarbonylamino-butyric acid methyl ester
• 英文别名: methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylmethoxyphenyl)butanoate
• CAS: 127106-65-4
• 化学式: C₂₃H₂₉NO₅
• 分子量: 399.487
• InChiKey: QXVSORGMJDDQMY-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(4-benzyloxy-phenyl)-3-tert-butoxycarbonylamino-butyric acid methyl ester 在 sodium tetrahydroborate 、 calcium chloride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以97%的产率得到[1-(4-benzyloxy-benzyl)-3-hydroxy-propyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  α- and β-Substituted phosphonate analogs of LPA as autotaxin inhibitors

  摘要：

  Autotaxin (ATX) is an attractive pharmacological target due to its lysophospholipase D activity which leads to the production of lysophosphatidic acid (LPA). Blockage of ATX produced LPA by small molecules could be a potential anticancer chemotherapy. In our previous study, we have identified the two beta-hydroxy phosphonate analogs of LPA (compounds f17 and f18) as ATX inhibitors. With this work, we investigated alpha- and beta-substituted phosphonate analogs of LPA and evaluated them for ATX inhibitory activity. The stereochemistry of beta-hydroxy phosphonates was also studied. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2007.11.078
• 作为产物：
  描述：

  Boc-O-苄基-L-β-高酪氨酸 、 碘甲烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以95%的产率得到4-(4-benzyloxy-phenyl)-3-tert-butoxycarbonylamino-butyric acid methyl ester
  参考文献：
  名称：

  Synthesis and initial pharmacology of dual-targeting ligands for putative complexes of integrin αVβ3 and PAR2

  摘要：

  首次描述了针对蛋白酶活化受体（PARs）和整合素的双靶向配体示例，具有潜在的抗炎应用。

  DOI：

  10.1039/d0md00098a

文献信息

• Certain chemical entities, compositions, and methods
  申请人：Qian Xiangping

  公开号：US20070149516A1

  公开（公告）日：2007-06-28

  Compounds useful for treating cellular proliferative diseases and disorders by modulating the activity of one or more mitotic kinesins are disclosed.

  本发明披露了通过调节一个或多个有丝分裂动力蛋白的活性来治疗细胞增殖性疾病和疾病的化合物。
• CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS
  申请人：QIAN Xiangping

  公开号：US20090286841A1

  公开（公告）日：2009-11-19

  Compounds useful for treating cellular proliferative diseases and disorders by modulating the activity of one or more mitotic kinesins are disclosed.

  本发明揭示了通过调节一个或多个有丝分裂动力蛋白的活性来治疗细胞增殖性疾病和疾病的化合物。
• Certain Chemical Entities, Compositions and Methods
  申请人：Qian Xiangping

  公开号：US20090306127A1

  公开（公告）日：2009-12-10

  Compounds useful for treating cellular proliferative diseases and disorders by modulating the activity of one or more mitotic kinesins are disclosed.

  本发明揭示了通过调节一个或多个有丝分裂动力蛋白的活性来治疗细胞增殖性疾病和疾病的化合物。
• Certain Chemical Entities, Compositions, and Methods
  申请人：Qian Xiangping

  公开号：US20090312365A1

  公开（公告）日：2009-12-17

  Compounds useful for treating cellular proliferative diseases and disorders by modulating the activity of one or more mitotic kinesins are disclosed.

  本发明涉及一种通过调节一个或多个有丝分裂动力蛋白的活性来治疗细胞增殖性疾病和障碍的化合物。
• CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS
  申请人：Qian Xiangping

  公开号：US20130096315A1

  公开（公告）日：2013-04-18

  Compounds useful for treating cellular proliferative diseases and disorders by modulating the activity of one or more mitotic kinesins are disclosed.

  本文披露了一种通过调节一个或多个有丝分裂动力蛋白的活性来治疗细胞增殖性疾病和障碍的化合物。