Boc-Gln-OH - ≥98% , CAS No.13726-85-7

CAS: 13726-85-7 Cat. No.: B100799 分子式: C₁₀H₁₈N₂O₅ 分子量: 246.26 Beilstein Registry Number: 2127805 EC番号: 237-296-8

GRADE & PURITY ≥98%

Synonyms

AKOS005175165 | N-BOC-glutamin | N(alpha)-tert-Butoxycarbonyl-L-glutamine | AC-17131 | N-t-Butyloxycarbonylglutamine | N~2~-(tert-butoxycarbonyl)-L-glutamine | B1649 | N-(t-butoxycarbonyl)-L-glutamine | N-tert-butoxycarbonyl-L-glutamine | Boc-Gln-OH, 98%

Storage

2～8℃で保存

Shipped In

濡れた氷

Specifications

同義語

AKOS005175165 | N-BOC-glutamin | N(alpha)-tert-Butoxycarbonyl-L-glutamine | AC-17131 | N-t-Butyloxycarbonylglutamine | N~2~-(tert-butoxycarbonyl)-L-glutamine | B1649 | N-(t-butoxycarbonyl)-L-glutamine | N-tert-butoxycarbonyl-L-glutamine | Boc-Gln-OH, 98%

仕様と純度

≥98%

保管条件

2～8℃で保存

入荷

濡れた氷

純度

≥98%

名前と識別子

• パブケム・シド: 504755698
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504755698
• カノニカル・スマイル: CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(O)=O
• IUPAC Name: (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
• InChIKey: VVNYDCGZZSTUBC-LURJTMIESA-N
• INCHI: 1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1
• 異性体SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)O
• WGKドイツ: 3
• 分子量: 246.26
• Beilstein: 2127805
• Reaxy-Rn: 2127805
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2127805&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Glutamine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Glutamine and derivatives
• Alternative Parents: Branched fatty acids Fatty amides Carbamate esters Primary carboxylic acid amides Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamine or derivatives - Branched fatty acid - Fatty amide - Fatty acid - Fatty acyl - Carbamic acid ester - Primary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: Soluble in DMSO and methanol. Soluble in 1?mmole in 2 ml DMF.
• 比旋光度［α］: -4 ° (C=2, EtOH)
• 融点（°C）: 113-115°C
• 分子量: 246.260 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 246.122 Da
• Monoisotopic Mass: 246.122 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 308.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Shuailing Huang, Yinglong Wu, Fang Zeng, Junjie Chen, Shuizhu Wu.  (2018)  A turn-on fluorescence probe based on aggregation-induced emission for leucine aminopeptidase in living cells and tumor tissue.  ANALYTICA CHIMICA ACTA,      [PMID:30119736] [10.1016/j.aca.2018.05.032]