Bis-PEG5-NHS ester - ≥98% , CAS No.756526-03-1

CAS: 756526-03-1 Cat. No.: B595340 Molecular Weight: 532.50 EC Number: 887-362-0

GRADE & PURITY ≥98%

Synonyms

Bis-dPEG(R)5-NHS ester | PEG5 BIS-NHS ESTER | AKOS027250858 | GS-6157 | BP-20429 | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate | bis(2,5-dioxopyrrolidin-1-yl) 4,7,10,13,16-p

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Bis-PEG5-NHS ester is a PEG derivative containing two NHS ester groups. The hydrophilic PEG spacer increases solubility in aqueous media. The NHS ester can be used to label the primary amines (-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules.

Features and Benefits
· Reactive groups: NHS ester (both ends)
· Reactive towards: amino groups (primary amines)
· NHS esters react with—NH2 groups at pH 7-9, forming stable amide bonds
· Water-soluble; compare to non-pegylated BS3 (also soluble) and DSS (water-insoluble)
· Membrane-impermeable, allowing for cell surface labeling
· Irreversibly crosslink proteins or peptides by flexible PEG spacer arms
· Polyethylene glycol spacer arms help maintain conjugate solubility
· Pure compound with defined structure and molecular weight, ensuring reproducible protein-modification effects
· PEG spacer provides unique advantages, including increased stability, reduced tendency toward aggregation and reduced immunogenicity
· Ideal for small molecule or peptide conjugations

Specifications

Synonyms

Bis-dPEG(R)5-NHS ester | PEG5 BIS-NHS ESTER | AKOS027250858 | GS-6157 | BP-20429 | (2, 5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-(2, 5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate | bis(2, 5-dioxopyrrolidin-1-yl) 4, 7, 10, 13, 16-p

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

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: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: FTYUGLBWKRXQBD-UHFFFAOYSA-N
• INCHI: 1S/C22H32N2O13/c25-17-1-2-18(26)23(17)36-21(29)5-7-31-9-11-33-13-15-35-16-14-34-12-10-32-8-6-22(30)37-24-19(27)3-4-20(24)28/h1-16H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
• Molecular Weight: 532.50
• Reaxy-Rn: 15621946
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15621946&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Pyrrolidine-2-ones Dicarboximides Lactams Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Lactam - Organoheterocyclic compound - Ether - Dialkyl ether - Azacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

• Solubility: Solubility in DMSO, DCM, DMF
• Sensitivity: Heat and moisture sensitive
• Flash Point(°C): 336 °C
• Molecular Weight: 532.500 g/mol
• XLogP3: -2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 22
• Exact Mass: 532.19 Da
• Monoisotopic Mass: 532.19 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 707.000
• 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