(2-pyridyldithio)-PEG4 acid , CAS No.581065-93-2

CAS: 581065-93-2 Cat. No.: P646477 Peso molecular: 391.50 PubChem CID: 22731904

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

(2-pyridyldithio)-PEG4 acid is a cleavable 4 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

In Vitro

ADCs are comprised of an antibody to which is attached an ADC cytotoxin through an ADC linker. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Viscous liquid

IC50& Target:Disulfide Cleavable Cleavable

Specifications

Mecanismos bioquímicos y fisiológicos

(2-pyridyldithio)-PEG4 acid is a cleavable 4 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Nombres e identificadores

• Sonrisas canónicas: C1=CC=NC(=C1)SSCCOCCOCCOCCOCCC(=O)O
• IUPAC Name: 3-[2-[2-[2-[2-(pyridin-2-yldisulfanyl)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• InChIKey: YOJQJVOLXIGESQ-UHFFFAOYSA-N
• INCHI: 1S/C16H25NO6S2/c18-16(19)4-6-20-7-8-21-9-10-22-11-12-23-13-14-24-25-15-3-1-2-5-17-15/h1-3,5H,4,6-14H2,(H,18,19)
• Isómeros SMILES: C1=CC=NC(=C1)SSCCOCCOCCOCCOCCC(=O)O
• PubChem CID: 22731904
• Peso molecular: 391.50

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Organic disulfides Sulfenyl compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Organic disulfide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Sulfenyl compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Propiedades químicas y físicas

• Peso molecular: 391.500 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 17
• Exact Mass: 391.112 Da
• Monoisotopic Mass: 391.112 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 325.000
• 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