Azidobutyric acid NHS ester - ≥95% , CAS No.943858-70-6

CAS: 943858-70-6 Cat. No.: A276210 Molecular Weight: 226.19 EC Number: 815-672-8

GRADE & PURITY ≥95%

Synonyms

HY-126521 | F80654 | Butanoic acid, 4-aazido-a? 2,a?-adioxo-a?-apyrrolidinyl ester | LCZC461 | (2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate | MFCD22573606 | EN300-265680 | BP-22526 | GS-6342 | 4-Azidobutyric acid N-hydroxysuccinimide ester | SCHEMBL1343354

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

N3-C3-NHS ester is a noncleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). N3-C3-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. It can also undergo strain-promoted alkyne-azide cycloaddition (SPAAC) reactions with molecules containing DBCO or BCN groups.

Specifications

Synonyms

HY-126521 | F80654 | Butanoic acid, 4-aazido-a? 2, a?-adioxo-a?-apyrrolidinyl ester | LCZC461 | (2, 5-dioxopyrrolidin-1-yl) 4-azidobutanoate | MFCD22573606 | EN300-265680 | BP-22526 | GS-6342 | 4-Azidobutyric acid N-hydroxysuccinimide ester | SCHEMBL1343354

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Azido-NHS ester for the conversion of proteins, peptides, amino-DNA, and other amines into Click Chemistry reactive azides.

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488201974
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201974
• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)CCCN=[N+]=[N-]
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate
• InChIKey: YYULROINNKAMIB-UHFFFAOYSA-N
• INCHI: 1S/C8H10N4O4/c9-11-10-5-1-2-8(15)16-12-6(13)3-4-7(12)14/h1-5H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CCCN=[N+]=[N-]
• Molecular Weight: 226.19
• Reaxy-Rn: 11080188
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11080188&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Lactams Azo imides Azo compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Azo compound - Azo imide - Lactam - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic zwitterion - Organic salt - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine 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

• Solubility: DMSO DMF
• Sensitivity: Light Sensitive,Moisture Sensitive,Heat Sensitive
• Molecular Weight: 226.190 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 226.07 Da
• Monoisotopic Mass: 226.07 Da
• Topological Polar Surface Area: 78.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 345.000
• 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