(S)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid | 928838-27-1

• 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: (S)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid
• 英文别名: (S)-3-(1-Benzyl-1H-[1,2,3]triazol-4-yl)-2-tert-butoxycarbonylamino-propionic acid；(2S)-3-(1-benzyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• CAS: 928838-27-1
• 化学式: C₁₇H₂₂N₄O₄
• 分子量: 346.386
• InChiKey: SRMPYBVUPKXXHP-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (S)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以98%的产率得到β-(N-benzyl)triazolylalanine
  参考文献：
  名称：

  WO2007/147482

  摘要：

  公开号：
• 作为产物：
  描述：

  Boc-L-炔丙基甘氨酸 、 苄基叠氮 在 copper diacetate sodium ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 以62%的产率得到(S)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid
  参考文献：
  名称：

  “Click to Chelate”:  Synthesis and Installation of Metal Chelates into Biomolecules in a Single Step

  摘要：

  Click chemistry has been employed for the assembly of novel and efficient triazole-based multidentate chelating systems while simultaneously attaching them to molecules of biological interest. The "click-to-chelate" approach offers a powerful new tool for the modification of (bio)molecules with metal chelators for potential diagnostic and therapeutic applications.

  DOI：

  10.1021/ja066779f

文献信息

• Synthesis of new protected azahistidine, their processes and their use in synthesises
  申请人：Commissariat à l'Énergie Atomique et aux Énergies Alternatives

  公开号：EP2210882A1

  公开（公告）日：2010-07-28

  The synthesis of various protected azahistidine derivatives are obtained via 1,3-dipolar cycloaddition reactions. The newly obtained amino acids can in particular be selectively deprotected either at the side chain or at the N-terminus of the amino acid and should thus allow the use of these derivatives in (solid phase) peptide synthesis

  各种保护的氮杂环丙氨酸衍生物的合成是通过1,3-偶极环加成反应获得的。新获得的氨基酸可以在特定情况下选择性地去保护，可以在氨基酸的侧链或N-末端去保护，因此应该允许在（固相）肽合成中使用这些衍生物。
• QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS
  申请人：Nazaré Marc

  公开号：US20100135999A1

  公开（公告）日：2010-06-03

  The present invention relates to compounds of the formula I, in which R 1 ; R 2 ; R 3 ; R 4 ; R 5 ; R 6 ; Z; A; B; E; X; Q; J; V; G and M have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong anti-aggregating effect on platelets and thus an anti-thrombotic effect and are suitable e.g. for the therapy and prophylaxis of cardio-vascular disorders like thromboembolic diseases or restenoses. They are reversible antagonists of the platelet ADP receptor P2Y12, and can in general be applied in conditions in which an undesired activation of the platelet ADP receptor P2Y12 is present or for the cure or prevention of which an inhibition of the platelet ADP receptor P2Y12 is intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及公式I的化合物，其中R1; R2; R3; R4; R5; R6; Z; A; B; E; X; Q; J; V; G和M具有所述声明中指示的含义。公式I的化合物是有价值的药理活性化合物。它们对血小板具有强烈的抗聚集作用，从而具有抗血栓作用，适用于治疗和预防心血管疾病，如血栓栓塞病或再狭窄。它们是血小板ADP受体P2Y12的可逆拮抗剂，通常适用于存在不良激活血小板ADP受体P2Y12的情况，或者治愈或预防需要抑制血小板ADP受体P2Y12的情况。此外，本发明还涉及制备公式I化合物的方法，它们的用途，特别是作为药物中的活性成分，以及包含它们的制药制剂。
• Quinoline-carboxamide derivatives as P2Y12 antagonists
  申请人：Nazare Marc

  公开号：US08669266B2

  公开（公告）日：2014-03-11

  The present invention relates to compounds of the formula I, in which R1; R2; R3; R4; R5; R6; Z; A; B; E; X; Q; J; V; G and M have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong anti-aggregating effect on platelets and thus an anti-thrombotic effect and are suitable e.g. for the therapy and prophylaxis of cardio-vascular disorders like thromboembolic diseases or restenoses. They are reversible antagonists of the platelet ADP receptor P2Y12, and can in general be applied in conditions in which an undesired activation of the platelet ADP receptor P2Y12 is present or for the cure or prevention of which an inhibition of the platelet ADP receptor P2Y12 is intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及公式I的化合物，其中R1; R2; R3; R4; R5; R6; Z; A; B; E; X; Q; J; V; G和M具有所述权利要求中指定的含义。公式I的化合物是有价值的药理活性化合物。它们在血小板上表现出强烈的抗聚集作用，因此具有抗血栓作用，适用于治疗和预防心血管疾病，如血栓栓塞病或再狭窄。它们是血小板ADP受体P2Y12的可逆拮抗剂，并且通常可以应用于存在不希望的血小板ADP受体P2Y12激活或需要抑制血小板ADP受体P2Y12的治疗或预防的情况。此外，本发明还涉及公式I的化合物的制备方法，它们的使用，特别是作为药物的活性成分，以及包含它们的药物制剂。
• Cyclic peptide antibiotics
  申请人：Genentech, Inc.

  公开号：US11279735B2

  公开（公告）日：2022-03-22

  Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. In various embodiments, the compounds act by inhibition of lipoprotein signal peptidase II (LspA), a key protein in bacteria. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.

  本文提供的是抗菌化合物，其中的化合物在某些实施方案中具有广谱生物活性。在各种实施方案中，这些化合物通过抑制脂蛋白信号肽酶 II（LspA）发挥作用，LspA 是细菌中的一种关键蛋白。还提供了使用本文所述化合物进行治疗的药物组合物和方法。
• CYCLIC PEPTIDE ANTIBIOTICS
  申请人：Genentech, Inc.

  公开号：US20200331968A1

  公开（公告）日：2020-10-22

  Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. In various embodiments, the compounds act by inhibition of lipoprotein signal peptidase II (LspA), a key protein in bacteria. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.