N3-Ph-NHS ester - ≥98% , CAS No.53053-08-0

CAS: 53053-08-0 Cat. No.: N596951 Molecular Weight: 260.21 EC Number: 892-311-0 PubChem CID: 122153

GRADE & PURITY ≥98%

Synonyms

YSZCJ045 | 4-Azidobenzoic acid N-hydroxysuccinimide ester | n-(4-azidobenzoyloxy)succinimide | HY-126524 | 4-Azidobenzoyloxysuccinimide | N-HYDROXYSUCCINIMIDE 4-AZIDOBENZOIC ESTER | 2,5-DIOXOPYRROLIDIN-1-YL 4-AZIDOBENZOATE | 3-hydroxy-2,5-dioxopyrrolidin-

Storage

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

Shipped In

Ice chest + Ice pads

Overview

N-Hydroxysuccinimidyl-4-azidobenzoate is an aryl azide-based, amine- and photoreactive crosslinker.

Product description：

N3-Ph-NHS ester is a noncleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). N3-Ph-NHS ester is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.

Specifications

Synonyms

YSZCJ045 | 4-Azidobenzoic acid N-hydroxysuccinimide ester | n-(4-azidobenzoyloxy)succinimide | HY-126524 | 4-Azidobenzoyloxysuccinimide | N-HYDROXYSUCCINIMIDE 4-AZIDOBENZOIC ESTER | 2, 5-DIOXOPYRROLIDIN-1-YL 4-AZIDOBENZOATE | 3-hydroxy-2, 5-dioxopyrrolidin-

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)N=[N+]=[N-]
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-azidobenzoate
• InChIKey: LWAVGNJLLQSNNN-UHFFFAOYSA-N
• INCHI: 1S/C11H8N4O4/c12-14-13-8-3-1-7(2-4-8)11(18)19-15-9(16)5-6-10(15)17/h1-4H,5-6H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)N=[N+]=[N-]
• PubChem CID: 122153
• Molecular Weight: 260.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Phenylazides Benzoyl derivatives Pyrrolidine-2-ones Dicarboximides Azo compounds Azo imides Lactams Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Phenylazide - 2-pyrrolidone - Pyrrolidone - Dicarboximide - Pyrrolidine - Azo compound - Azo imide - Carboxylic acid salt - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to 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: Light sensitive，Moisture sensitive，Heat sensitive
• Melt Point(°C): 164 °C
• Molecular Weight: 260.209 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 260.055 Da
• Monoisotopic Mass: 260.055 Da
• Topological Polar Surface Area: 78.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 434.000
• 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