Mal-PEG1-NHS ester - ≥98% , CAS No.1807518-72-4

CAS: 1807518-72-4 Cat. No.: M595448 Molecular Weight: 310.26 PubChem CID: 59992617

GRADE & PURITY ≥98%

Synonyms

MS-24503 | HY-126886 | 2,5-Dioxopyrrolidin-1-yl 3-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy)propanoate | DTXSID901114382 | AKOS040742076 | MAL-PEG1-NHSESTER | MFCD26127783 | BP-21854 | Maleimide-PEG1-Succinimidyl Propionate | SCHEMBL15503171 | C7036

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Mal-PEG1-NHS ester is a PEG derivative containing a maleimide group and an NHS ester group. 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. The maleimide group will react with a thiol group to form a covalent bond, enabling the connection of biomolecule with a thiol.

Specifications

Synonyms

MS-24503 | HY-126886 | 2, 5-Dioxopyrrolidin-1-yl 3-(2-(2, 5-dioxo-2, 5-dihydro-1H-pyrrol-1-yl)ethoxy)propanoate | DTXSID901114382 | AKOS040742076 | MAL-PEG1-NHSESTER | MFCD26127783 | BP-21854 | Maleimide-PEG1-Succinimidyl Propionate | SCHEMBL15503171 | C7036

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)CCOCCN2C(=O)C=CC2=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate
• InChIKey: AMRJPIJPLBUEHO-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O7/c16-9-1-2-10(17)14(9)6-8-21-7-5-13(20)22-15-11(18)3-4-12(15)19/h1-2H,3-8H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CCOCCN2C(=O)C=CC2=O
• Alternate CAS: 1807518-72-4
• PubChem CID: 59992617
• Molecular Weight: 310.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Maleimides
• Alternative Parents: Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyrrolines Dicarboximides Tertiary amines Lactams Amino acids and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Maleimide - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Carboxylic acid imide - Dicarboximide - Pyrroline - Tertiary amine - Amino acid or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as maleimides. These are compounds containing a 2,5-pyrroledione moiety.
• 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 DCM
• Sensitivity: Moisture sensitive
• Molecular Weight: 310.260 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 310.08 Da
• Monoisotopic Mass: 310.08 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 521.000
• 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