Pnala

Base Information

• Chemical Name: Pnala
• CAS No.: 32181-59-2
• Molecular Formula: C14H25NO11
• Molecular Weight: 383.353
• Hs Code.: 29400090
• UNII: 3Y5B2K5OOK
• Nikkaji Number: J510.838A
• Metabolomics Workbench ID: 38953
• Mol file: 32181-59-2.mol

Synonyms:ACETYL LACTOSAMINE;N-acetyllactosamine

Chemical Property of Pnala

Chemical Property:

• Appearance/Colour: White Crystalline Solid
• Vapor Pressure: 5.02E-30mmHg at 25°C
• Melting Point: 191-192 °C
• Refractive Index: 1.623
• Boiling Point: 805.5 °C at 760 mmHg
• PKA: 12.85±0.20(Predicted)
• Flash Point: 441 °C
• PSA: 198.40000
• Density: 1.64 g/cm³
• LogP: -4.86250
• Storage Temp.: −20°C
• Solubility.: H2O: 10 mg/mL, clear, colorless
• XLogP3: -5
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 383.14276061
• Heavy Atom Count: 26
• Complexity: 464

Purity/Quality:

98%, ^*data from raw suppliers

LN ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC(C=O)C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O
• Isomeric SMILES: CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O
• Uses: A component of oligosaccharide portion of many N- and O-linked glycoproteins. It is a building unit for the antigenic determinants of a number of certain human blood group activities as well as of the ABH Type 2 determinants N-Acetyl-D-lactosamine is used as a specific lectin target molecule in the identification and differentiation of sugar binding molecules such as the galectins. N-Acetyl-D-lactosamine is used in studies of galactosidase, fucosyltransferase, sialyltransferase, and lectin inhibition. N-Acetyllactosamine is used in the expansion of a multi-funcational natural scaffold for the study of structural space of the Galectin-1-Ligand interaction. Also, it is used to identify the impurity as an imidazoline ring structure.

Technology Process of Pnala

There total 6 articles about Pnala 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: 91.0%

2-acetamido-2-deoxy-D-glucose (7512-17-6,282727-46-2,478518-83-1,127959-06-2,78393-48-3) + 4-nitrophenyl-β-D-galactopyranoside (3150-24-1) → β-Galp-(1->6)-GlcNAc (13071-21-1,34621-78-8,50787-10-5,58650-61-6,72142-81-5,72521-11-0,84730-38-1,109446-44-8,119870-65-4) + N-acetyllactosamine (32181-59-2,50787-11-6,82441-98-3,85441-65-2)

Guidance literature:

With Biolacta N₅; In 2-hydroxy-1,3-dioxane; at 30 ℃; pH=5; regioselective reaction; aq. buffer; Enzymatic reaction;

DOI:10.1016/j.tet.2012.01.020

Reference yield:

D-(+)-lactose (63-42-3) → N-acetyllactosamine (32181-59-2,50787-11-6,82441-98-3,85441-65-2)

Guidance literature:

With lactobacillus-bifidus-cultures;

Reference yield:

3-O-β-D-galactopyranosyl-D-arabinose (6057-48-3) → N-acetyllactosamine (32181-59-2,50787-11-6,82441-98-3,85441-65-2)

Guidance literature:

upstream raw materials:

O⁴-β-D-galactopyranosyl-D-arabino-[2]hexosulose-bis-phenylhydrazone

3-O-β-D-galactopyranosyl-D-arabinose

D-(+)-lactose

2-acetamido-2-deoxy-D-glucose

Downstream raw materials:

2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl-(1->4)-2-deoxy-2-acetamido-1,3,4-tri-O-acetyl-α-D-glucopyranose

Neu5Acα(2-3)Galβ(1-4)GlcNAc

Refernces

• 1、 Pérez-Sánchez, María,Sandoval, Manuel,Hernáiz, María J.. "Bio-solvents change regioselectivity in the synthesis of disaccharides using Biolacta β-galactosidase". experimental part. p. 2141 - 2145. Retrieved 2012/03/27.