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

CAS: 581065-93-2 Cat. No.: P646477 Formula: C₁₆H₂₅NO₆S₂ Peso molecolare: 391.50 PubChem CID: 22731904

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

(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

Specifiche

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Nomi e identificatori

Sorrisi canonici

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)

Isomeri SMILES

C1=CC=NC(=C1)SSCCOCCOCCOCCOCCC(=O)O

PubChem CID

22731904

Peso molecolare

391.50

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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

Domande frequenti

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 581065-93-2, the molecular formula is C16H25NO6S2, and the molecular weight is 391.50 g/mol. InChIKey YOJQJVOLXIGESQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.