NHS-PEG4-(m-PEG12)3-ester - ≥90% , CAS No.1334178-03-8

CAS: 1334178-03-8 Cat. No.: N596237 Molecular Weight: 2420.8

GRADE & PURITY ≥90%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

NHS-PEG4-(m-PEG12)3-ester is a branched PEG derivative with a terminal NHS ester. The NHS ester can be used to label the primary amines (-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules.

Specifications

Specifications & Purity

≥90%

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

≥90%

Names and Identifiers

• Canonical Smiles: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)(COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[[1,3-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate
• InChIKey: VOPFWBJWEJMWRQ-UHFFFAOYSA-N
• INCHI: 1S/C108H206N6O52/c1-123-25-28-131-41-44-139-55-58-145-67-70-151-79-82-157-91-94-160-88-85-154-76-73-148-64-61-142-52-49-136-38-33-128-22-14-110-101(116)9-18-163-97-108(113-104(119)12-17-126-31-36-134-47-48-135-37-32-127-21-13-109-100(115)5-4-6-107(122)166-114-105(120)7-8-106(114)121,98-164-19-10-102(117)111-15-23-129-34-39-137-50-53-143-62-65-149-74-77-155-86-89-161-95-92-158-83-80-152-71-68-146-59-56-140-45-42-132-29-26-124-2)99-165-20-11-103(118)112-16-24-130-35-40-138-51-54-144-63-66-150-75-78-156-87-90-162-96-93-159-84-81-153-72-69-147-60-57-141-46-43-133-30-27-125-3/h4-99H2,1-3H3,(H,109,115)(H,110,116)(H,111,117)(H,112,118)(H,113,119)
• Isomeric SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)(COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O
• Molecular Weight: 2420.8
• Reaxy-Rn: 20311077
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20311077&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acyl amines
• Alternative Parents: Pyrrolidine-2-ones Dicarboximides Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-acyl-amine - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.
• 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