2-[3-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]propyl-(9H-fluoren-9-ylmethoxycarbonylamino)amino]acetic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]propyl-(9H-fluoren-9-ylmethoxycarbonylamino)amino]acetic acid
• 化学式: C₃₁H₄₁N₅O₈
• 分子量: 611.695
• InChiKey: VJTMFEUAOJBPGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  44
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  168
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-[3-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]propyl-(9H-fluoren-9-ylmethoxycarbonylamino)amino]acetic acid 、 Fmoc-甘氨酸 、 Fmoc-L-天冬氨酸 、 alkaline earth salt of/the/ methylsulfuric acid 生成
  参考文献：
  名称：

  Design, synthesis and cardioprotective effect of a new class of dual-acting agents: Phenolic tetrahydro-β-carboline RGD peptidomimetic conjugates

  摘要：

  In this study, a new class of phenolic tetrahydro-beta-carboline RGD peptidomimetic conjugates was designed and synthesized. The radical scavenging activities of these newly synthesized compounds 12a-c were evaluated in PC 12 cell survival assays. The NO scavenging activities of these compounds were confirmed in the acetylcholine-induced vasorelaxation assay. Compounds 12a-c were efficacious in a rat arterial thrombosis model, and were active in ADP- or PAF-induced in vitro platelet aggregation assays, which Suggests these compounds also possess anti-thrombotic activity. The beneficial effects of dual-acting agent 12c were demonstrated on the ischemia-reperfusion induced cardiac infarct size and oxidative change in an in vivo rat model. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.08.022
• 作为产物：
  描述：

  9-芴基甲基肼基甲酸酯 在 盐酸 、 palladium on activated charcoal 、 氢气 、 sodium cyanoborohydride 、 potassium carbonate 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 乙酸乙酯 、 甲苯 为溶剂， 反应 78.75h， 生成 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]propyl-(9H-fluoren-9-ylmethoxycarbonylamino)amino]acetic acid
  参考文献：
  名称：

  Stable peptide-based PACE4 inhibitors

  摘要：

  提供了PACE4抑制剂及其用于治疗感染和癌症的用途。特别地，提供了一种方法或用于治疗受试者癌症的用途，包括向受试者施用PACE4抑制剂或所披露的组合物的治疗有效量。

  公开号：

  US09809621B2

文献信息

• STABLE PEPTIDE-BASED FURIN INHIBITORS
  申请人：Day Robert

  公开号：US20150141324A1

  公开（公告）日：2015-05-21

  It is provided furin inhibitors and their uses for treating pathogen infection. Particularly, it is provided a method or use for the treatment of a pathogen infection, in a subject, comprising administering to the subject a therapeutically effective amount of the furin inhibitors or the composition disclosed, thereby preventing or treating pathogen infection, in the subject.

  本发明提供了抑制酶furin及其用于治疗病原体感染的方法。特别地，本发明提供了一种治疗主体的病原体感染的方法或用途，包括向该主体投予治疗有效量的furin抑制剂或所披露的组合物，从而预防或治疗该主体的病原体感染。
• STABLE PEPTIDE-BASED PACE4 INHIBITORS
  申请人：Day Robert

  公开号：US20140206622A1

  公开（公告）日：2014-07-24

  It is provided PACE4 inhibitors and their uses for treating infection, cancer. Particularly, it is provided a method or use for the treatment of a cancer in a subject, comprising administering to the subject a therapeutically effective amount of the PACE4 inhibitors or the composition disclosed.

  本文提供了PACE4抑制剂及其用于治疗感染和癌症的方法。特别地，本文提供了一种用于治疗患者癌症的方法或用途，包括向患者施用足够治疗量的PACE4抑制剂或所述的组合物。
• Solid-Phase Synthesis of “Mixed” Peptidomimetics Using Fmoc-Protected Aza-β³-amino Acids and α-Amino Acids
  作者：Olivier Busnel、Lanrong Bi、Hayet Dali、Arnaud Cheguillaume、Soizic Chevance、Arnaud Bondon、Sylviane Muller、Michèle Baudy-Floc'h

  DOI：10.1021/jo051585o

  日期：2005.12.1

  A solid-phase fluorenylmethyloxycarbonyl (Fmoc)-based synthesis strategy is described for "mixed" aza-beta(3)-peptides as well as a convenient general approach for their required building blocks, the aza-beta(3)-amino acid residues (aza-beta(3)-aa). These monomers allow the synthesis of relatively large quantities of pure mixed aza-beta(3)-peptides. The required Fmoc-substituted aza-beta(3)-amino acids are accessible by convenient synthesis, and a number of monomers including those containing side chains with functional groups have been synthesized. The method was applied toward the solid-phase synthesis of aza-beta(3)-peptide mimetics of a biologically active histone H4 sequence.
• Aza-β3-amino acid containing peptidomimetics as cAMP-dependent protein kinase substrates
  作者：Ksenija Kisseljova、Aleksei Kuznetsov、Michèle Baudy-Floc’h、Jaak Järv

  DOI：10.1016/j.bioorg.2010.05.004

  日期：2010.10

  Peptidomimetic analogs of the peptide RRASVA, known as the "minimal substrate" of the catalytic subunit of the cAMP-dependent protein kinase (PKA), were synthesized by consecutive replacement of natural amino acids by their aza-beta(3) analogs. The peptidomimetics were tested as PKA substrates and the kinetic parameters of the phosphorylation reaction were determined. It was found that the interaction of these peptidomimetics with the enzyme active center was sensitive to the location of the backbone modification, while the maximal rate of the reaction was practically not affected by the structure of substrates. The pattern of molecular recognition of peptidomimetics was in agreement with the results of structure modeling and also with the results of computational docking study of peptide and peptidomimetic substrates with the active center of PKA. It was concluded that the specificity determining factors which govern substrate recognition by the enzyme should be grouped along the phosphorylatable substrate, and such clustering might open new perspectives for pharmacophore design of peptides and peptide-like ligands. (C) 2010 Elsevier Inc. All rights reserved.
• US9809621B2
  申请人：——

  公开号：US9809621B2

  公开（公告）日：2017-11-07