N-Boc-glycylglycine - ≥97%(HPLC) , CAS No.31972-52-8

CAS: 31972-52-8 Cat. No.: B140202 Peso molecular: 232.23 Número EC: 960-333-0

GRADE & PURITY ≥97%(HPLC)

Synonyms

A5760 | FT-0639004 | N-tert-butyloxycarbonyl-glycyl-glycine | 2[2-(tert-butoxycarbonylamino) acetylamino] acetic acid | Q-101816 | SY046533 | 2-(2-(tert-butoxycarbonylamino)acetamido)acetic acid | 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

A5760 | FT-0639004 | N-tert-butyloxycarbonyl-glycyl-glycine | 2[2-(tert-butoxycarbonylamino) acetylamino] acetic acid | Q-101816 | SY046533 | 2-(2-(tert-butoxycarbonylamino)acetamido)acetic acid | 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504758498
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758498
• Sonrisas canónicas: CC(C)(C)OC(=O)NCC(=O)NCC(=O)O
• IUPAC Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid
• InChIKey: HWBAHOVOSOAFLE-UHFFFAOYSA-N
• INCHI: 1S/C9H16N2O5/c1-9(2,3)16-8(15)11-4-6(12)10-5-7(13)14/h4-5H2,1-3H3,(H,10,12)(H,11,15)(H,13,14)
• Isómeros SMILES: CC(C)(C)OC(=O)NCC(=O)NCC(=O)O
• Peso molecular: 232.23
• Reaxy-Rn: 2054618
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2054618&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: N-acyl-alpha amino acids Alpha amino acid amides Carbamate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Heat Sensitive
• Punto de fusión (°C): 126 °C(dec.)
• Peso molecular: 232.230 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 232.106 Da
• Monoisotopic Mass: 232.106 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 282.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Referencias

1. Xinyuan Zhou, Pan Zhang, Nan Liu, Xiao Zhang, Hui Lv, Wei Xu, Meirong Huo.  (2023)  Enhancing chemotherapy for pancreatic cancer through efficient and sustained tumor microenvironment remodeling with a fibroblast-targeted nanosystem.  JOURNAL OF CONTROLLED RELEASE,      [PMID:37536546] [10.1016/j.jconrel.2023.07.061]