N-Mal-N-bis(PEG2-acid) - ≥98% , CAS No.2110449-02-8

CAS: 2110449-02-8 Cat. No.: N596386 Molecular Weight: 488.5 PubChem CID: 129012725

GRADE & PURITY ≥98%

Synonyms

N-Mal-N-bis(PEG2-acid) | SCHEMBL23697054 | 3-{2-[2-(N-{2-[2-(2-carboxyethoxy)ethoxy]ethyl}-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido)ethoxy]ethoxy}propanoic acid | 2110449-02-8 | BP-23738 | 10-(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl)-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

N-Mal-N-bis(PEG2-acid) is a branched PEG derivative with two terminal carboxylic acids and a maleimide group. The terminal carboxylic acids can be reacted with primary amino groups in the presence of activators (e.g. EDC, or DCC) to form a stable amide bond. The maleimide group will react with a thiol group to form a covalent bond, enabling the connection of biomolecule with a thiol.

Specifications

Synonyms

N-Mal-N-bis(PEG2-acid) | SCHEMBL23697054 | 3-{2-[2-(N-{2-[2-(2-carboxyethoxy)ethoxy]ethyl}-3-(2, 5-dioxo-2, 5-dihydro-1H-pyrrol-1-yl)propanamido)ethoxy]ethoxy}propanoic acid | 2110449-02-8 | BP-23738 | 10-(3-(2, 5-dioxo-2, 5-dihydro-1H-pyrrol-1-yl)propanoyl)-

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: C1=CC(=O)N(C1=O)CCC(=O)N(CCOCCOCCC(=O)O)CCOCCOCCC(=O)O
• IUPAC Name: 3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]ethoxy]ethoxy]propanoic acid
• InChIKey: IEXQAPPGJQEYIT-UHFFFAOYSA-N
• INCHI: 1S/C21H32N2O11/c24-17(3-6-23-18(25)1-2-19(23)26)22(7-11-33-15-13-31-9-4-20(27)28)8-12-34-16-14-32-10-5-21(29)30/h1-2H,3-16H2,(H,27,28)(H,29,30)
• Isomeric SMILES: C1=CC(=O)N(C1=O)CCC(=O)N(CCOCCOCCC(=O)O)CCOCCOCCC(=O)O
• Alternate CAS: 2110449-02-8
• PubChem CID: 129012725
• Molecular Weight: 488.5

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: N-substituted carboxylic acid imides Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Pyrrolines Dicarboximides Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Maleimide - Carboxylic acid imide, n-substituted - Dicarboxylic acid or derivatives - Tertiary carboxylic acid amide - Pyrroline - Dicarboximide - Carboxylic acid imide - Carboxamide group - Azacycle - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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 Water, DMSO, DCM, DMF
• Molecular Weight: 488.500 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 21
• Exact Mass: 488.201 Da
• Monoisotopic Mass: 488.201 Da
• Topological Polar Surface Area: 169.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 663.000
• 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