Methyltetrazine-PEG4-NHS ester - ≥95% , CAS No.1802907-92-1

CAS: 1802907-92-1 Cat. No.: M463386 Molecular Weight: 533.53 EC Number: 899-020-8

GRADE & PURITY ≥95%

Synonyms

Methyltetrazine-PEG4-NHS esterv | Methyltetrazine-PEG5-NHS ester | 2,5-dioxopyrrolidin-1-yl 1-(4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy)-3,6,9,12-tetraoxapentadecan-15-oate | SCHEMBL21896456 | AKOS040742129 | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-(

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

Description

Methyltetrazine-PEG4-NHS ester is a crosslinker with enhanced stability and water solubility. This crosslinker has an NHS ester that can be reacted with a primary amine and a methyltetrazine that is reactive withtrans-cyclooctenes. Methyltetrazine-PEG4-NHS ester is one of the most stable tetrazines commercially available. In addition to stabilization provided by the electron donating methyl group, the electron donating alkoxy substituent on the aromatic ring further improves the stability of methyltetrazine-PEG4-NHS ester. The aqueous solubility of this reagent is substantially enhanced by a hydrophilic polyethylene glycol (PEG) spacer arm.

Specifications

Synonyms

Methyltetrazine-PEG4-NHS esterv | Methyltetrazine-PEG5-NHS ester | 2, 5-dioxopyrrolidin-1-yl 1-(4-(6-methyl-1, 2, 4, 5-tetrazin-3-yl)phenoxy)-3, 6, 9, 12-tetraoxapentadecan-15-oate | SCHEMBL21896456 | AKOS040742129 | (2, 5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-(

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Pubchem Sid: 504772500
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772500
• Canonical Smiles: CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: SWSUSQWZOPGVKP-UHFFFAOYSA-N
• INCHI: 1S/C24H31N5O9/c1-18-25-27-24(28-26-18)19-2-4-20(5-3-19)37-17-16-36-15-14-35-13-12-34-11-10-33-9-8-23(32)38-29-21(30)6-7-22(29)31/h2-5H,6-17H2,1H3
• Isomeric SMILES: CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O
• Molecular Weight: 533.53
• Reaxy-Rn: 36712377
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36712377&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 Alkyl aryl ethers Tetrazines Pyrrolidine-2-ones Heteroaromatic compounds Dicarboximides Lactams Monocarboxylic acids and derivatives 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 - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Tetrazine - Dicarboximide - Pyrrolidine - Heteroaromatic compound - Lactam - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - 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

• Sensitivity: Moisture sensitive
• Molecular Weight: 533.500 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 19
• Exact Mass: 533.212 Da
• Monoisotopic Mass: 533.212 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 699.000
• 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