DBCO-PEG4-NHS Ester - ≥95% , CAS No.1427004-19-0

CAS: 1427004-19-0 Cat. No.: D404366 Molecular Weight: 649.70

GRADE & PURITY ≥95%

Synonyms

Dibenzocyclooctyne-PEG4-Nhydroxysuccinimidyl ester | DBCO-PEG4-NHS ester | DBCO-PEG4-SE | DBCO-PEG4-succinimidyl ester | DBCO-NH-PEG4-CH2CH2COONHS ester

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

Antibody Drug Conjugates(ADC), Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Overview

Applicated in medical research, drug-release, nanotechnology and new materials research, cell culture. In the study of ligand, polypeptide synthesis support, a graft polymer compounds, new materials, and polyethylene glycol-modified functional coatings and other aspects of the active compound.

Product Describtion:

DBCO-PEG4-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

Specifications

Synonyms

Dibenzocyclooctyne-PEG4-Nhydroxysuccinimidyl ester | DBCO-PEG4-NHS ester | DBCO-PEG4-SE | DBCO-PEG4-succinimidyl ester | DBCO-NH-PEG4-CH2CH2COONHS ester

Specifications & Purity

≥95%

Storage

Protected from light, 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

• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: RRCXYKNJTKJNTD-UHFFFAOYSA-N
• INCHI: 1S/C34H39N3O10/c38-30(11-12-31(39)36-25-28-7-2-1-5-26(28)9-10-27-6-3-4-8-29(27)36)35-16-18-44-20-22-46-24-23-45-21-19-43-17-15-34(42)47-37-32(40)13-14-33(37)41/h1-8H,11-25H2,(H,35,38)
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
• Molecular Weight: 649.70
• Reaxy-Rn: 27037643
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27037643&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 Benzenoids Tertiary carboxylic acid amides Dicarboximides Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-amine - Pyrrolidone - Benzenoid - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Tertiary carboxylic acid amide - 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 - Aromatic heteropolycyclic 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

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Moisture Sensitive,Heat Sensitive
• Molecular Weight: 649.700 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 20
• Exact Mass: 649.264 Da
• Monoisotopic Mass: 649.264 Da
• Topological Polar Surface Area: 150.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1120.000
• 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

References

1. Shengjie Liu, He Yang, Xingyu Heng, Lihua Yao, Wei Sun, Qing Zheng, Zhaoqiang Wu, Hong Chen.  (2024)  Integrating Metabolic Oligosaccharide Engineering and SPAAC Click Chemistry for Constructing Fibrinolytic Cell Surfaces.  ACS Applied Materials & Interfaces,      [PMID:38954798] [10.1021/acsami.4c07619]

2. Siqi Zhang, Menglin Zhou, Man-Yuan Li, Renyu Wang, Chengfei Yang, Liuquan Yang, Jingsi Wang, Xufeng Deng, Jigang Dai, Quanxing Liu.  (2026)  Biorthogonal click-immobilized probiotic membrane vesicles in a dynamic hydrogel for accelerated and scar-minimized wound healing.  Materials Today Bio,      [PMID:] [10.1016/j.mtbio.2026.103046]

3. Chun Yang, Zunquan Zhao, Qichen Yang, Yanjun Fang, Jingran Sun, Liqin Du, Yonghui Wang, Xiaoli Li, Nan Su, Jin Wu, Mingzhu Liu, Ying Liu, Jialei Bai.  (2026)  A Universal Near-Zero-Background Biosensing Platform: Engineered p-MXene/Quantum Dot@Aptamer Nanocomposites for Ultrasensitive Molecular Detection.  ANALYTICAL CHEMISTRY,      [PMID:] [10.1021/acs.analchem.5c07551]