(2-pyridyldithio)-PEG4-propargyl - ≥98% , CAS No.2170240-99-8

CAS: 2170240-99-8 Cat. No.: P596532 Molecular Weight: 357.5 PubChem CID: 131954380

GRADE & PURITY ≥98%

Synonyms

HY-141360 | BP-23858 | AKOS040740997 | DTXSID601197561 | MS-25613 | 2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyldisulfanyl]pyridine | C70190 | Pyridine, 2-(3,6,9,12-tetraoxapentadec-14-yn-1-yldithio)- | 2170240-99-8 | (2-pyridyldithio)-PEG4-propar

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

(2-pyridyldithio)-PEG4-propargyl is a PEG derivative which contains a pyridyl disulfide moiety and a propargyl group. The pyridyl disulfide group can react with thiol groups of proteins over a wide range of pH levels. The propargyl group can be reacted with azide-bearing compounds or biomolecules via copper catalyzed azide-alkyne Click Chemistry to yield a stable triazole linkage. The hydrophilic PEG linker increases the water solubility of compounds in aqueous media.

Specifications

Synonyms

HY-141360 | BP-23858 | AKOS040740997 | DTXSID601197561 | MS-25613 | 2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyldisulfanyl]pyridine | C70190 | Pyridine, 2-(3, 6, 9, 12-tetraoxapentadec-14-yn-1-yldithio)- | 2170240-99-8 | (2-pyridyldithio)-PEG4-propar

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Canonical Smiles: C#CCOCCOCCOCCOCCSSC1=CC=CC=N1
• IUPAC Name: 2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyldisulfanyl]pyridine
• InChIKey: QSFZYWOQKSZANQ-UHFFFAOYSA-N
• INCHI: 1S/C16H23NO4S2/c1-2-7-18-8-9-19-10-11-20-12-13-21-14-15-22-23-16-5-3-4-6-17-16/h1,3-6H,7-15H2
• Isomeric SMILES: C#CCOCCOCCOCCOCCSSC1=CC=CC=N1
• Alternate CAS: 2170240-99-8
• PubChem CID: 131954380
• Molecular Weight: 357.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Heteroaromatic compounds Organic disulfides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Haloacetylenes and derivatives Dialkyl ethers Azacyclic compounds Aldimines Acetylides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Heteroaromatic compound - Organic disulfide - Haloacetylene or derivatives - Acetylide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Ether - Dialkyl ether - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• 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

Chemical and Physical Properties

• Molecular Weight: 357.500 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 15
• Exact Mass: 357.107 Da
• Monoisotopic Mass: 357.107 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 312.000
• 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