Tn Antigen - ≥99%(TLC) , CAS No.67262-86-6

CAS: 67262-86-6 Cat. No.: T755077 Molecular Weight: 308.29

GRADE & PURITY ≥99%(TLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Tn antigen is a truncated O-glycan, that is commonly noticed in colorectal cancer (CRC). It is usually expressed at high levels in cancer cells. Tn antigen is small in size and simple in structure. It has a non-physiological glycan structure in humans, hence it may be identified as foreign by the immune system.

Specifications

Specifications & Purity

≥99%(TLC)

Biochemical and Physiological Mechanisms

Tn antigen stimulates colorectal cancer metastasis through the activation of epithelial-mesenchymal transition, mediated by H-Ras. It acts as a precursor to several significant complex O-glycans. Subpopulations of blood cells in all lineages carrying the

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%(TLC)

Names and Identifiers

• Canonical Smiles: CC(=O)NC1C(C(C(OC1OCC(C(=O)O)N)CO)O)O
• IUPAC Name: (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminopropanoic acid
• InChIKey: REDMNGDGDYFZRE-WKWISIMFSA-N
• INCHI: 1S/C11H20N2O8/c1-4(15)13-7-9(17)8(16)6(2-14)21-11(7)20-3-5(12)10(18)19/h5-9,11,14,16-17H,2-3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,7+,8-,9+,11-/m0/s1
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)N)CO)O)O
• Molecular Weight: 308.29
• Reaxy-Rn: 53463527
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=53463527&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Glycosyl-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Glycosyl-amino acids
• Alternative Parents: Fatty acyl glycosides of mono- and disaccharides N-acyl-alpha-hexosamines Hexoses O-glycosyl compounds L-alpha-amino acids Sugar acids and derivatives Oxanes Acetamides Secondary carboxylic acid amides Secondary alcohols Amino acids Acetals Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Monoalkylamines
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Glycosyl-amino-acid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - N-acyl-alpha-hexosamine - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Sugar acid - Monosaccharide - Fatty acyl - Oxane - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Amino acid - Organoheterocyclic compound - Carboxylic acid - Acetal - Monocarboxylic acid or derivatives - Oxacycle - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Alcohol - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as glycosyl-amino acids. These are compounds consisting of saccharide linked through a glycosyl linkage (O-, N-, or S-) to an amino acid.
• External Descriptors: non-proteinogenic L-alpha-amino acid - L-serine derivative

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

Chemical and Physical Properties

• Molecular Weight: 308.290 g/mol
• XLogP3: -5.600
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 308.122 Da
• Monoisotopic Mass: 308.122 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 379.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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