allyl 4-aminobutanoate | 162081-26-7

• 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: allyl 4-aminobutanoate
• 英文别名: γ-aminobutyric acid allyl ester；4-amino butyric acid allyl ester；allyl γ-aminobutyrate；Prop-2-enyl 4-aminobutanoate
• CAS: 162081-26-7
• 化学式: C₇H₁₃NO₂
• mdl: MFCD09923509
• 分子量: 143.186
• InChiKey: QMDLISGNOMTRLA-UHFFFAOYSA-N

物化性质

• 沸点：
  209.8±23.0 °C(Predicted)
• 密度：
  0.978±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  allyl 4-aminobutanoate 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 prop-2-enyl 4-[[(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]butanoate
  参考文献：
  名称：

  Large Cyclic Peptides as Cores of Multivalent Ligands:  Application to Inhibitors of Receptor Binding by Cholera Toxin

  摘要：

  Large cyclic decapeptides (up to 50-atom ring) were synthesized efficiently on the solid phase with allyl-ester protection of the carboxyl terminus during elongation. Pentavalent ligands, in a "core-linker-finger" modular setup, were assembled by using these cyclic peptide cores to demonstrate large affinity gains for inhibition of surface receptor binding by the cholera toxin B pentamer. The results suggest that the peptide cores retain expanded conformation in solution so that shorter flexible linkers are needed for larger peptide cores to achieve the best inhibitory results.

  DOI：

  10.1021/jo0489770
• 作为产物：
  描述：

  烯丙醇 、 4-氨基丁酸 在 乙酰氯 作用下， 反应 0.5h， 以47%的产率得到allyl 4-aminobutanoate
  参考文献：
  名称：

  Thermally Sensitive Protecting Groups for Cysteine, and Manufacture and Use Thereof

  摘要：

  在一种优选实施方式中，提供了一种保护基团，用于保护半胱氨酸残基的硫醇侧链，所述保护基团包括呋喃和马来酰亚胺的二烯-阿尔德环加成物，以及可选地，插入在硫醇侧链和二烯-阿尔德环加成物之间的连接剂。

  公开号：

  US20210040105A1

文献信息

• MCR DENDRIMERS
  申请人：Wessjohann Ludger A.

  公开号：US20130203960A1

  公开（公告）日：2013-08-08

  The invention relates to a method for producing peptoidic, peptidic and chimeric peptidic-peptoidic dendrimers by multiple iterative multi-component reactions (MCR), in particular Ugi or Passerini multi-component reactions, to compounds produced in this way and to the use thereof.

  这项发明涉及一种通过多次迭代多组分反应（MCR），特别是Ugi或Passerini多组分反应，来制备肽样、肽和嵌合肽-肽样树状聚合物的方法，以及通过这种方式生产的化合物的用途。
• Protein kinase inhibitors comprising ATP mimetics conjugated to peptides or pertidomimetics
  申请人：Livnah Nurit

  公开号：US20050026840A1

  公开（公告）日：2005-02-03

  The present invention provides small molecules having high affinity to the ATP binding site of protein kinases, which are conjugated to apeptide or peptidomimetic moiety which mimics the substrate of PKB. The chimeric compounds according to the present invention preferably serve as PKB inhibitors with improved activity and selectivity. Novel ATP mimetic compounds, particularly isoquinoline derivatives, conjugated with peptides or peptidomimetics are useful as inhibitors of protein kinases for experimental, medical, and drug design purposes. Furthermore, pharmaceutical compositions comprising these protein kinase inhibitors, and methods of using such compositions for treatment and diagnosis of cancers, diabetes, cardiovascular pathologies, hemorrhagic shock, obesity, inflammatory diseases, diseases of the central nervous system, and autoimmune disease, are disclosed.

  本发明提供了具有高亲和力与蛋白激酶的ATP结合位点结合的小分子，这些小分子与模拟PKB底物的肽或肽类似物结合。根据本发明的嵌合化合物优选作为具有改进活性和选择性的PKB抑制剂。新型ATP类似物化合物，特别是异喹啉衍生物，与肽或肽类似物结合，可用作蛋白激酶的抑制剂，用于实验、医学和药物设计目的。此外，包括这些蛋白激酶抑制剂的药物组合物，以及使用这些组合物用于治疗和诊断癌症、糖尿病、心血管病变、出血性休克、肥胖症、炎症性疾病、中枢神经系统疾病和自身免疫疾病的方法也被揭示。
• [EN] 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS<br/>[FR] IMIDAZOPYRAZINES 6-SUBSTITUÉES POUR UTILISATION EN TANT QU'INHIBITEURS DE MPS-1 ET TKK DANS LE TRAITEMENT DE TROUBLES HYPERPROLIFÉRATIFS
  申请人：BAYER PHARMA AG

  公开号：WO2012080236A1

  公开（公告）日：2012-06-21

  The present invention relates to substituted imidazopyrazine compounds of general formula (I): in which R1, R2, R3, R4 and R5 are as defined in the claims, to methods of and intermediates for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyper-proliferative and/or angiogenesis disorder, as a sole agent or in combination with other active ingredients.

  本发明涉及通式（I）的取代咪唑吡嗪化合物，其中R1、R2、R3、R4和R5如权利要求中所定义，以及制备所述化合物的方法和中间体，包括所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是用作唯一药剂或与其他活性成分组合使用时，用于治疗或预防过度增殖和/或血管生成紊乱的疾病。
• [EN] ANTICANCER AND ANTIPROTOZOAL DIHYDROARTEMISINENE AND DIHYDROARTEMISITENE DIMERS WITH DESIRABLE CHEMICAL FUNCTIONALITIES<br/>[FR] DIMERES DIHYDROARTEMISINENE ET DIHYDROARTEMISITENE ANTICANCEREUX ET ANTIPROTOZOAIRES A FONCTIONNALITES CHIMIQUES DESIREES
  申请人：UNIV MISSISSIPPI

  公开号：WO2006002105A1

  公开（公告）日：2006-01-05

  This invention comprises compositions containing dihydroartemisinin- and dihydroartemisitene- dimers with activity as anticancer or anticancer metastasis agents and anti-protozal, including anti-malarial and anti-leishmanial properties. This invention also describes methods of preparation of these compositions and methods of use of such compositions for the treatment of cancer or prevention of cancer metastasis, and protozoal infections, including malaria, or leishmaniasis. The compounds of this invention represent a potential new class of anti-tumor or anti-metastasis agents, one that has shown promising activity against solid tumors.

  这项发明包括含有二氢青蒿素和二氢青蒿素二聚体的组合物，具有抗癌或抗癌转移剂以及抗原虫，包括抗疟疾和抗利什曼病属性。该发明还描述了这些组合物的制备方法以及利用这些组合物治疗癌症或预防癌症转移以及原虫感染，包括疟疾或利什曼病的方法。该发明的化合物代表了一种潜在的新型抗肿瘤或抗转移剂类，已显示出对实体肿瘤具有良好活性。
• Stable helical peptoids via covalent side chain to side chain cyclization
  作者：Belén Vaz、Luc Brunsveld

  DOI：10.1039/b806847j

  日期：——

  interaction inhibitors. The generation of helical peptoid folds in organic and aqueous media has been limited to strict design rules, as peptoid-folding is mainly directed via the steric direction of alpha-chiral side-chains. Here a new methodology is presented to induce helical folds in peptoids with the aid of side chain to side chain cyclization. Cyclic peptoids were generated via solid-phase synthesis and

  类肽是低聚的N-取代的甘氨酸，具有作为生物学上相关的化合物的潜力。螺旋类肽为蛋白质-蛋白质相互作用抑制剂的产生提供了引人注目的折叠。由于类肽折叠主要通过α-手性侧链的空间方向进行，因此在有机介质和水性介质中螺旋类肽折叠的产生一直受到严格的设计规则的限制。在这里，提出了一种新的方法，可借助侧链至侧链环化作用在类肽中诱导螺旋折叠。通过固相合成产生环状类肽，并研究它们的折叠。环化在有机介质中的类肽中诱导明显的螺旋，帮助在水性介质中折叠，并且仅需要引入相对较少的手性芳族侧链。