T Epitope, Threonyl

Base Information

• Chemical Name: T Epitope, Threonyl
• CAS No.: 60280-58-2
• Molecular Formula: C18H32N2O13
• Molecular Weight: 484.45
• DSSTox Substance ID: DTXSID601127019
• Nikkaji Number: J1.027.618G
• Mol file: 60280-58-2.mol

Synonyms:T Epitope, Threonyl;60280-58-2;DTXSID601127019;O-(3-O-beta-D-Galactopyranosyl-2-acetylamino-2-deoxy-alpha-D-galactopyranosyl)-L-threonine;O-[2-(Acetamido)-2-deoxy-3-O--D-galactopyranosyl--D-galactopyranosyl]-L-threonine;O-[2-(Acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranosyl]-L-threonine

Chemical Property of T Epitope, Threonyl

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: >170 (dec.)
• Refractive Index: 1.613
• Boiling Point: 872.474°C at 760 mmHg
• Flash Point: 481.455°C
• PSA: 250.72000
• Density: 1.587g/cm³
• LogP: -4.90320
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• XLogP3: -6.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 9
• Exact Mass: 484.19043908
• Heavy Atom Count: 33
• Complexity: 669

Purity/Quality:

97% ^*data from raw suppliers

TEpitope,Threonyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C(=O)O)N)OC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)NC(=O)C
• Isomeric SMILES: C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C
• Uses: Galβ(1-3)GalNAc-α-Thr can be used as a cancer associated carbohydrate tumor antigen which may be effective as cancer specific targets for immunotherapy as well as in the development of diagnostic monoclonal antibodies.

Technology Process of T Epitope, Threonyl

There total 17 articles about T Epitope, Threonyl which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.0%

O-(2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl)-(1<*>3)-O-(2-acetamido-2-desoxy-α-D-galactopyranosyl)-(1<*>3)-L-threonin (83956-47-2) → O-[2-acetamido-2-deoxy-3-O-(β-D-galactopyranosyl)-α-D-galactopyranosyl]-L-threonine (60280-58-2)

Guidance literature:

With methanol; sodium methylate; at 0 ℃;

DOI:10.1016/0008-6215(82)84033-0

Reference yield: 79.0%

O-<(2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl)-(1->3)-O-(2-acetamido-4,6-di-O-benzoyl-2-desoxy-α-D-galactopyranosyl)>-L-threonin (96031-32-2) → O-[2-acetamido-2-deoxy-3-O-(β-D-galactopyranosyl)-α-D-galactopyranosyl]-L-threonine (60280-58-2)

Guidance literature:

With sodium methylate; In methanol; at 5 ℃; pH = 10.5;

DOI:10.1016/0008-6215(84)85006-5

Reference yield: 28.0%

O-(2-acetamido-2-deoxy-α-D-galactopyranosyl)-L-threonine (17041-35-9,72274-72-7,116949-19-0,67315-18-8) + 4-nitrophenyl-β-D-galactopyranoside (3150-24-1) → O-[2-acetamido-2-deoxy-3-O-(β-D-galactopyranosyl)-α-D-galactopyranosyl]-L-threonine (60280-58-2)

Guidance literature:

With β-galactosidase from bovine testes; sodium phosphate-citrate buffer; In water; at 37 ℃; for 48h; pH=4.3;

DOI:10.1016/S0008-6215(96)00324-2

upstream raw materials:

O-(2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl)-(1<*>3)-O-(2-acetamido-2-desoxy-α-D-galactopyranosyl)-(1<*>3)-L-threonin

O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-(1->3)-O-(2-acetamido-4,6-di-O-acetyl-2-deoxy-α-D-galactopyranosyl)-(1->3)-N-(benzyloxycarbonyl)-L-threonine tert-butyl ester

O-<(2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl)-(1->3)-O-(2-acetamido-4,6-di-O-benzoyl-2-desoxy-α-D-galactopyranosyl)>-L-threonin

O-(2-acetamido-2-deoxy-α-D-galactopyranosyl)-L-threonine

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