4-(Tert-butoxycarbonylamino)methylbicyclo[2.2.2]octane-1-carboxylate | 219996-49-3

• 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: 4-(Tert-butoxycarbonylamino)methylbicyclo[2.2.2]octane-1-carboxylate
• 英文别名: 4-{[(tert-butoxycarbonyl)amino]methyl}bicyclo[2.2.2]octane-1-carboxylic acid；Boc-4-aminomethylbicyclo-[2.2.2]octane carboxylic acid；4-(((tert-Butoxycarbonyl)amino)methyl)bicyclo[2.2.2]octane-1-carboxylic acid；4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid
• CAS: 219996-49-3
• 化学式: C₁₅H₂₅NO₄
• 分子量: 283.368
• InChiKey: ZTXFFJDDDPLMAH-UHFFFAOYSA-N

物化性质

• 沸点：
  426.4±18.0 °C(Predicted)
• 密度：
  1.177±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  4-(Tert-butoxycarbonylamino)methylbicyclo[2.2.2]octane-1-carboxylate 在 氯甲酸乙酯 、 三乙胺 、 sodium tetrahydroborate 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 3.0h， 以39%的产率得到Tert-butyl ((4-(hydroxymethyl)bicyclo[2.2.2]octan-1-yl)methyl)carbamate
  参考文献：
  名称：

  WO2006/128184

  摘要：

  公开号：
• 作为产物：
  描述：

  Methyl 4-[(tert-butoxycarbonylamino)methyl]bicyclo[2.2.2]octane-1-carboxylate 在 氢氧化钾 、 水 作用下， 反应 15.0h， 以56%的产率得到4-(Tert-butoxycarbonylamino)methylbicyclo[2.2.2]octane-1-carboxylate
  参考文献：
  名称：

  WO2006/128184

  摘要：

  公开号：

文献信息

• Method of treating cancer
  申请人：——

  公开号：US20030220241A1

  公开（公告）日：2003-11-27

  The present invention relates to methods of treating cancer using a combination of a compound which is a PSA conjugate and a compound which is a inhibitor of prenyl-protein transferase, which methods comprise administering to said mammal, either sequentially in any order or simultaneously, amounts of at least two therapeutic agents selected from a group consisting of a compound which is a PSA conjugate and a compound which is a inhibitor of prenyl-protein transferase. The invention also relates to methods of preparing such compositions.

  本发明涉及使用一种PSA共轭物和一种前脂蛋白转移酶抑制剂的组合治疗癌症的方法，该方法包括向所述哺乳动物施用来自以下组中选择的至少两种治疗剂的量，所述组包括一种PSA共轭物和一种前脂蛋白转移酶抑制剂，所述治疗剂可以顺序给药或同时给药。该发明还涉及制备这种组合物的方法。
• Conjugates useful in the treatment of prostate cancer
  申请人：Merck & Co., Inc.

  公开号：US06127333A1

  公开（公告）日：2000-10-03

  Chemical conjugates which comprise oligopeptides, having amino acid sequences that are selectively proteolytically cleaved by free prostate specific antigen (PSA) and known cytotoxic agents are disclosed. The conjugates of the invention are characterized by a diamine linker between the oligopeptide and vinblastine. Such conjugates are useful in the treatment of prostatic cancer and benign prostatic hypertrophy (BPH).

  本发明揭示了化学共轭物，其包括具有选择性被游离前列腺特异性抗原（PSA）水解的氨基酸序列和已知的细胞毒性药剂的寡肽。本发明的共轭物的特点是寡肽和长春新碱之间的二胺连接剂。这样的共轭物在前列腺癌和良性前列腺增生（BPH）的治疗中是有用的。
• CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER
  申请人：MERCK & CO., INC.

  公开号：EP1009420B1

  公开（公告）日：2003-12-17
• Heterobicyclic metalloprotease inhibitors
  申请人：Steeneck Christoph

  公开号：US20070155738A1

  公开（公告）日：2007-07-05

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.
• Heterobicyclic Metalloprotease Inhibitors
  申请人：STEENECK Christoph

  公开号：US20090312312A1

  公开（公告）日：2009-12-17

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.