Boc-(S)-Leucyl-(S)-valin | 54199-87-0

• 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: Boc-(S)-Leucyl-(S)-valin
• 英文别名: Boc-Leu-Val-OH；Boc-L-leucyl-L-valin；N-Boc-L-Leucyl-L-Valine；(2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
• CAS: 54199-87-0；151112-50-4；31945-86-5
• 化学式: C₁₆H₃₀N₂O₅
• 分子量: 330.425
• InChiKey: HBFWWQAQSLWSME-RYUDHWBXSA-N

物化性质

• 沸点：
  516.3±35.0 °C(Predicted)
• 密度：
  1.076±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Boc-(S)-Leucyl-(S)-valin 在 甲醇 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 、 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 82.0h， 生成 Boc-Leu-Val-Aib-OH
  参考文献：
  名称：

  Fabrication of nanoporous material from a hydrophobic peptide

  摘要：

  一种含有疏水性残基的五肽在固态下自组装形成无孔材料。X射线晶体学显示晶体中没有孔，并且该肽表现出由分子内和分子间氢键的形成促成的超分子螺旋结构。然而，从二甲苯-水中选择性相分离的肽会导致不同内径的纳米多孔材料的形成。场发射扫描电子显微镜(FE-SEM)显示，平均孔径在20到50纳米之间。此外，纳米多孔干胶能够有效吸附I2并去除废水中的有机染料。

  DOI：

  10.1039/c0ce00701c
• 作为产物：
  描述：

  [P-(t-butoxycarbonyloxy)phenyl]dimethylsulfonium methyl sulfate 生成 Boc-(S)-Leucyl-(S)-valin
  参考文献：
  名称：

  AZUSE, IKUNORI;TAMURA, MASAHIRO;KINOMURA, KEISUKE;OKAI, HIDEO;KOUGE, KATS+, BULL. CHEM. SOC. JAP., 62,(1989) N0, C. 3103-3108

  摘要：

  DOI：

文献信息

• Peptide Synthesis in Aqueous Solution. IV. Preparation and Properties of [<i>p</i>-(Benzyloxycarbonyloxy)phenyl]dimethylsulfonium Methyl Sulfate (Z-ODSP), [<i>p</i>-(<i>t</i>-Butoxycarbonyloxy)phenyl]dimethylsulfonium Methyl Sulfate (Boc-ODSP) and [<i>p</i>-(9-Fluorenylmethyloxycarbonyloxy)phenyl]dimethylsulfonium Methyl Sulfate (Fmoc-ODSP) as Water-Soluble<i>N</i>-Acylating Reagents
  作者：Ikunori Azuse、Masahiro Tamura、Keisuke Kinomura、Hideo Okai、Katsushige Kouge、Fumio Hamatsu、Tatsuya Koizumi

  DOI：10.1246/bcsj.62.3103

  日期：1989.10

  order to increase the applications of the water-soluble active ester method, water-soluble acylating reagents, [p-(benzyloxycarbonyloxy)phenyl]dimethylsulfonium methyl sulfate, [p-(t-butoxycarbonyloxy)phenyl]dimethylsulfonium methyl sulfate and [p-(9-fluorenylmethyloxycarbonyloxy)phenyl]dimethylsulfonium methyl sulfate, were synthesized from of p-hydroxyphenyldimethylsulfonium methyl sulfate. These

  为了增加水溶性活性酯法的应用，水溶性酰化试剂[对(苄氧基羰基氧基)苯基]二甲基硫酸锍、[对(叔丁氧基羰氧基)苯基]二甲基硫酸锍和[对- (9-芴基甲氧基羰基氧基)苯基]二甲基锍甲基硫酸盐由对羟基苯基二甲基锍甲基硫酸盐合成。这些化合物在水中具有高溶解度（超过 30%），并且被发现可作为优异的水溶性酰化试剂，用于在水溶液中合成 N-苄氧羰基、N-叔丁氧羰基、N-9-芴基甲氧羰基氨基酸衍生物。他们在水性介质和氨基酸中将二肽转化为 N-酰基二肽。此外，还发现它们是保护赖氨酸、鸟氨酸、
• A peptide based two component white light emitting system
  作者：Dibakar Kumar Maiti、Arindam Banerjee

  DOI：10.1039/c3cc43371d

  日期：——

  A peptide based two component white light emitting system has been designed and developed on the basis of a co-assembly of a PDI containing peptide system as an acceptor and a stilbene containing peptide system as a donor in organic solvents.

  基于聚合物的两组分白光发射系统已经设计和开发，基于在有机溶剂中将含PDI的肽系统作为受体和含斯蒂尔本的肽系统作为供体的共同组装。
• [EN] COMPOUNDS THAT INHIBIT ASPARAGINE SYNTHETASE AND THEIR METHODS OF USE<br/>[FR] COMPOSÉS QUI INHIBENT L'ASPARAGINE SYNTHÉTASE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ASINEX CORP

  公开号：WO2021236475A1

  公开（公告）日：2021-11-25

  The invention is relevant to chemistry of organic compounds, pharmacology and medicine, and is related to treatment and/or prevention of a disease or condition, associated with over expressed or dysregulated glutamine-dependent asparagine synthetase, using a new family of chemical compounds having the ability to inhibit asparagine synthetase (ASMS). New chemical compounds with high inhibitory activity against asparagine synthase and promising for use in therapy. This invention also covers pharmaceutical compositions containing therapeutically effective amount of compound according to the invention and method of treatment and/or prevention of a disease or condition, associated with over-expressed or dysregulated glutamine dependent asparagine synthetase.

  这项发明涉及到有机化合物的化学、药理学和医学，与治疗和/或预防与过度表达或失调的谷氨酰胺依赖性天冬氨酸合成酶相关的疾病或症状有关，使用具有抑制天冬氨酸合成酶（ASMS）能力的新一类化学化合物。具有高抑制活性的新化学化合物对于天冬氨酸合成酶具有潜在治疗用途。该发明还涵盖含有根据该发明的化合物的治疗有效量的药物组合物，以及与过度表达或失调的谷氨酰胺依赖性天冬氨酸合成酶相关的疾病或症状的治疗和/或预防方法。
• [EN] 3-HYDROXY-5-PREGNANE-20-ONE DERIVATIVE AND USE THEREOF<br/>[FR] DÉRIVÉ DE 3-HYDROXY-5-PREGNANE-20-ONE ET SON UTILISATION<br/>[ZH] 3-羟基-5-孕烷-20-酮衍生物及其用途
  申请人：NANJING NORATECH PHARMACEUTICALS CO LTD

  公开号：WO2021027744A1

  公开（公告）日：2021-02-18

  本发明提供式I所示的3-羟基-5-孕烷-20酮衍生物或其药学上可接受的盐，及包含所述衍生物或其药学上可接受盐的药物组合物。本发明的衍生物或其药学上可接受的盐或包含上述衍生物或盐的药物组合物可以制备用于治疗中枢神经系统异常引起的疾病的药物。
• -Hairpins Generated from Hybrid Peptide Sequences Containing both - and -Amino Acids
  作者：Hosahudya N. Gopi、Rituparna S. Roy、Srinivasa R. Raghothama、Isabella L. Karle、Padmanabhan Balaram

  DOI：10.1002/1522-2675(200210)85:10<3313::aid-hlca3313>3.0.co;2-p

  日期：2002.10

  The incorporation of the P-amino acid residues into specific positions in the strands and U-turn segments of peptide hairpins is being systematically explored. The presence of an additional torsion variable about the C(alpha)-C(beta) bond (theta) enhances the conformational repertoire in beta-residues. The conformational analysis of three designed peptide hairpins composed of alpha/beta-hybrid segments is described: Boc-Leu-Val-Val-(D)Pro-betaPhe-Leu-Val-Val-OMe (1), Boc-Leu-Vil-betaVal-(D)Pro-Gly-betaLeu-Val-Val-OMe (2). and Boc-Lcu-Val-betaPhe-Val-(D)Pro-Gly-Leu-betaPhe-Val-Val-OMe (3). 500-MHz H-1-NMR Analysis supports a preponderance of beta-hairpin conformation in solution for all three peptides, with critical cross-strand NOEs providing evidence for the proposed structures. The crystal structure of peptide 2 reveals a beta-hairpin conformation with two beta-residues occupying facing, non-H-bonded positions in antiparallel beta-strands. Notably, betaVal(3) adopts a gauche conformation about the C(alpha)-C(beta) bond (theta = + 65degrees) without disturbing cross-strand H-bonding. The crystal structure of 2, together with previously published crystal structures of peptides 3 and Boc-Phe-betaPhe-(D)Pro-Gly-betaPhe-betaPhe-OMe, provide an opportunity to visualize the packing of peptide sheets with local 'polar segments' formed as a consequence of reversal peptide-bond orientation. The available structural evidence for hairpins suggests that beta-residues can be accommodated into nucleating turn segments and into both the H-bonding and non-H-bonding positions on the strands.