Basic information
- CAS
3554-90-3- Standard SMILES
CC(=O)N[C@@H](C=O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)CO- InChIKey
QCQYVCMYGCHVMR-AAZUGDAUSA-N- Molecular formula
- C14H25NO11
- Average molar mass
- 383.35 g/mol
- Monoisotopic mass
- 383.14276061
Overview
Thomsen-Friedenreich Antigen is a type 1 core O-glycan with potential immunotherapeutic property. Thomsen-Friedenreich (TF) antigen, a galactose disaccharide, is normally O-linked to serine or threonine residue of mucins (MUC1), a transmembrane glycoprotein overexpressed on epithelial cell surface of a variety of tumor cells. The expression of this antigen is associated with tumor cell adhesion, tissue invasion and aggressiveness. When administered in a vaccine formulation, TF antigen may stimulate a cytotoxic T cell response against tumors expressing TF epitope, which may result in a reduction in tumor size.
Names & identifiers
- Preferred name
- Thomsen-Friedenreich Antigen
- IUPAC
- N-[(2R,3R,4S,5R)-4,5,6-trihydroxy-1-oxo-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
- English name
- BETA-D-GAL-[1->3]-D-GALNAC
- Molecular formula
- C14H25NO11
- Molecular weight
- 383.35
Names & synonyms
Thomsen-friedenreich antigen3554-90-3Gal-galnacT-Crypt antigenTF-antigenGal(beta-3)galnacErythrocyte T antigenGal(beta1-3)galnacGalbeta(1-3)galnacT antigen, mucin-typeT-antigen, erythrocyteT mucin-type carbohydrate antigen
Show more names
GALACTO-N-BIOSET ANTIGENTF ANTIGEN3]-D-GALNACGAL-1-3GALNACGAL1-B-3GALNACGAL-BETA1,3GALNAC3)-N-acetylgalactosamineBETA-D-GAL-[1->3]-D-GALNAC3)-N-acetyl-D-galactosamine
beta-D-Gal(1-3)alpha-D-galnacT antigen, mucin-type carbohydratebeta-Galactosyl(1-3)-N-acetylgalactosaminebeta-D-Galactosyl(1-3)-N-acetyl-D-galactosamine2-acetamido-2-deoxy-3-O-(beta--galactopyranosyl)-D-galactoseD-Galactose, 2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-2-Acetamido-2-deoxy-3-O-(beta-D-galactopyranosyl)-beta-D-galactopyranoseRefChem:189690
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Melting point
- 159 · 159-160°C
- Boiling point
- 858.1 · 858.1±65.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Methanol (Slightly, Heated), Water (Slightly)
- pka
- 12.82 · 12.82±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- CAS DataBase Reference
- 3554 · 3554-90-3
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesIt is found in hydrolysates of blood group A,B,H, and Le substances and forms an essential part of their antigenic determinants. It is also inherent in the structure of the brain gangliosides in which it constitutes the terminal part of the molecule.
UsesIt is found in hydrolysates of blood group A,B,H, and the substances and forms an essential part of their antigenic determinants. It is also inherent in the structure of the brain gangliosides in which it constitutes the terminal part of the molecule.
Suppliers14 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Watson Biotechnology Co.,Ltd
Related reactions
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Compound notes
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