Methyltetrazine-PEG4-maleimide - ≥95% , CAS No.1802908-02-6

CAS: 1802908-02-6 Cat. No.: M595708 Molecular Weight: 514.53

GRADE & PURITY ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Methyltetrazine-PEG4-Maleimide is a PEG derivative containing a maleimide group and a hydrophilic PEG spacer which increases water-solubility. The maleimide group specifically and efficiently reacts with thiols to form stable thioether bonds. This reagent can be used to efficieintly incorporate a tetrazine moiety onto antibodies, cysteine-containing peptides and other thiol-containing molecules.

Specifications

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
• InChIKey: DPEUPJJPNNSKGW-UHFFFAOYSA-N
• INCHI: 1S/C24H30N6O7/c1-18-26-28-24(29-27-18)19-2-4-20(5-3-19)37-17-16-36-15-14-35-13-12-34-11-9-25-21(31)8-10-30-22(32)6-7-23(30)33/h2-7H,8-17H2,1H3,(H,25,31)
• Isomeric SMILES: CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O
• Molecular Weight: 514.53
• Reaxy-Rn: 35251634
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35251634&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Maleimides Alkyl aryl ethers Tetrazines N-substituted carboxylic acid imides Pyrrolines Heteroaromatic compounds Dicarboximides Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Maleimide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Tetrazine - Carboxylic acid imide - Dicarboximide - Pyrroline - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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: 514.500 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 17
• Exact Mass: 514.218 Da
• Monoisotopic Mass: 514.218 Da
• Topological Polar Surface Area: 155.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 721.000
• 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