4-氨基丁酸叔丁酯对甲苯磺酸盐 | 26727-22-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 环羧酸
• 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
• 中文名称: 4-氨基丁酸叔丁酯对甲苯磺酸盐
• 中文别名: 三硬脂山梨坦；4-氨基丁酸苄酯4-甲基苯磺酸酯
• 英文名称: H-γ-Abu-OBzl p-tosylate
• 英文别名: GABA-OBzl p-toluene sulfonate；benzyl 4-aminobutyrate tosylate；benzyl 4-aminobutanoate p-toluenesulfonic acid salt；benzyl 4-ammoniumbutanoate toluenesulfonate；4-(benzyloxy)-4-oxobutan-1-aminium 4-methylbenzenesulfonate；4-aminobutyric acid benzyl ester p-toluenesulfonate；γ-aminobutyric acid benzyl ester p-tosylate；γ-butyrate benzyl ester p-toluenesulfonate；γ-aminobutyric acid benzyl ester tosylate；4-amino-butyric acid benzyl ester toluene-4-sulfonic acid；benzyl γ-aminobutyrate p-toluenesulfonate；H-NH(CH2)3CO-OBz·TsOH；H-γAbu-OBzl*PTSA；4-Methylbenzenesulfonate;(4-oxo-4-phenylmethoxybutyl)azanium；4-methylbenzenesulfonate;(4-oxo-4-phenylmethoxybutyl)azanium
• CAS: 26727-22-0
• 化学式: C₇H₇O₃S*C₁₁H₁₆NO₂
• 分子量: 365.45
• InChiKey: AVEADJJUOBFQIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.71
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温且干燥

反应信息

• 作为反应物：
  描述：

  4-氨基丁酸叔丁酯对甲苯磺酸盐 在 N-羟基丁二酰亚胺 、 三乙胺 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 benzyl N-BOC-alanylalanyl-4-aminobutyrate
  参考文献：
  名称：

  Synthesis and Evaluation of New Elastase Substrates as Tripartate Prodrugs

  摘要：

  Compounds consisting of a peptide sequence, 4-aminobutyric acid or 5-aminovaleric acid, respectively, as spacer units, and benzyl alcohol as a model leaving group have been prepared and tested for their ability to serve as substrates for porcine pancreatic elastase and human polymorphnuclear elastase. Those compounds containing an Ala-Ala-Ala sequence served as effective substrates for both enzymes. Hydrolytic cleavage, however, occurred exclusively at the ester bond, not at the pepticle-spacer bond. In order to direct the cleavage site from the ester to the amide bond the peptide sequence was varied. We introduced a proline residue in P-3 (in relation to the ester bond) which is known to prevent the cleavage of a substrate by elastase. No hydrolysis, however, either of the ester bond or of the pepticle-spacer bond, was found for these compounds.

  DOI：

  10.1002/1521-4184(200209)335:7<325::aid-ardp325>3.0.co;2-w
• 作为产物：
  描述：

  苯甲醇 、 4-氨基丁酸 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 5.0h， 以98%的产率得到4-氨基丁酸叔丁酯对甲苯磺酸盐
  参考文献：
  名称：

  DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS

  摘要：

  公开号：

  EP2397488B1

文献信息

• Synthesis and In Vitro Antibacterial Activity of Catechol-spiramycin Conjugates.
  作者：HERVÉ PORAS、GERHARD KUNESCH、JEAN-CLAUDE BARRIÈRE、NADINE BERTHAUD、ANTOINE ANDREMONT

  DOI：10.7164/antibiotics.51.786

  日期：——

  The first synthesis of siderophore conjugates of two macrolide antibiotics, spiramycin 1 and neospiramycin 2, which are unable to penetrate the outer membrane of Gramnegative bacteria are described. These novel conjugates were prepared by regioselective acylation of a hydroxyl function of 1 and 2 with a dihydroxybenzoic Fe(III) complexing ligand linked via a carboxyl group containing spacer to the macrolide antibiotics. The preliminary biological evaluation of these novel conjugates under standard and iron depleted conditions has shown that their antibacterial activity was comparable to that of spiramycin 1 and neospiramycin 2.

  首次合成了两种大环内酯抗生素——螺旋霉素1和新螺旋霉素2的铁载体偶联物，这两种抗生素本身无法穿透革兰氏阴性细菌的外膜。这些新型偶联物是通过选择性酰化螺旋霉素1和新螺旋霉素2中的羟基功能团，与通过含有羧基的间隔子连接到大环内酯抗生素上的二羟基苯甲酸铁(III)配位 ligand 实现的。在标准和铁缺乏条件下对这些新型偶联物进行的初步生物学评估显示，它们的抗菌活性与螺旋霉素1和新螺旋霉素2相当。
• Molecular structural requirements, dye specificity, and application of anionic peptide amphiphiles that induce intense fluorescence in cationic dyes
  作者：Hiroshi Hachisako、Naoya Ryu、Ryoichi Murakami

  DOI：10.1039/b818206j

  日期：——

  acid with relatively shorter side-chain methylenes. The dye specificity in terms of induction of the intense fluorescence was also investigated using hemicyanines (stilbazoliumetc.), cyanine, carbocyanine, thiacarbocyanines, and azo dye. The amphiphile with the shortest octanoyl-β-alanyl double-chain alkyl groups, longer side-chain, and shorter spacer was found to show increased sensitivity to alkali

  我们以前曾报道过，能够在分子间形成三氢键的双链阴离子两亲物可能在水中形成极疏水的位点。 水特别是掺入了基于噻唑鎓的紧凑型半花青染料作为单体物质，从而导致染料中强烈的荧光发射。本文研究了强荧光诱导两亲物的结构要求。注意到将β-Ala残基引入两个长链烷基基团对于衍生自的两亲物最有效L-谷氨酸具有相对较短的侧链亚甲基。还使用半花菁（stilbazolium等），花菁，碳花菁，硫代碳菁和偶氮染料研究了染料在诱导强荧光方面的特异性。发现具有最短的辛酰基-β-丙氨酰基双链烷基，侧链较长和间隔基较短的两亲物显示出对碱金属离子，特别是Li +的敏感性增加。这可能是Li +的潜在OFF-ON型荧光传感器。
• A systematic understanding of gelation self-assembly: solvophobically assisted supramolecular gelation via conformational reorientation across amide functionality on a hydrophobically modulated dipeptide based ambidextrous gelator, N-n-acyl-(<scp>l</scp>)Val-X(OBn), (X = 1,ω-amino acid)
  作者：Saubhik Haldar、Koninika Karmakar

  DOI：10.1039/c5ra10209j

  日期：——

  Gelator backbone conformational flexibility plays an important role in a supramolecular self-assembly which is synergistically assisted by solvophobic interaction leading to a gelation of three sets of hydrophobically modulated dipeptidic gelators.

  凝胶体骨架构象的柔性在超分子自组装中起着重要作用，这种自组装受溶剂疏水相互作用的协同作用推动，导致三组疏水调控的二肽凝胶体的凝胶化。
• [EN] MULTIFUNCTIONAL RADICAL QUENCHERS<br/>[FR] AGENTS D'EXTINCTION DE RADICAUX MULTIFONCTIONNELS
  申请人：UNIV ARIZONA

  公开号：WO2014059158A1

  公开（公告）日：2014-04-17

  The invention provides a compound of formula (I): [insert formula (I)] wherein X, Y, and R1-R4 have any of the values defined in the specification, and salts thereof, as well as compositions comprising the compounds or salts. The compounds are useful for treating diseases associated with impaired mitochondrial function in an animal.

  该发明提供了一个式(I)的化合物：[插入式(I)的公式]其中X、Y和R1-R4具有规范中定义的任何值，以及其盐，以及包含该化合物或盐的组合物。这些化合物对于治疗与动物中受损线粒体功能相关的疾病是有用的。
• [EN] CHELATE COMPOUNDS<br/>[FR] COMPOSÉS CHÉLATES
  申请人：GE HEALTHACRE AS

  公开号：WO2017220610A1

  公开（公告）日：2017-12-28

  The invention provides compounds of formula (I) suitable for use as contrast agents in magnetic resonance imaging (MRI). The compounds of the present invention are manganese (II) complexes having advantageous properties as compared with similar known compounds.

  该发明提供了适用于磁共振成像（MRI）对比剂的化合物（I）的公式。本发明的化合物是锰（II）配合物，具有与类似已知化合物相比具有优越性能的优点。