PDEC-NB - 10mM in DMSO , CAS No.874302-76-8

CAS: 874302-76-8 Cat. No.: P426609 Formule: C₁₄H₁₂N₂O₅S₂ Poids moléculaire: 352.39 PubChem CID: 11638899

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

PDEC-NB is a disulfide cleavable linker that can be applied into the synthesis of antibody-drug conjugates (ADCs).

Specifications

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

PDEC-NB is a disulfide cleavable linker that can be applied into the synthesis of antibody-drug conjugates (ADCs).

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Sourires canoniques: C1=CC=NC(=C1)SSCCOC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: (4-nitrophenyl) 2-(pyridin-2-yldisulfanyl)ethyl carbonate
• InChIKey: JHDROZPIXZYTMZ-UHFFFAOYSA-N
• INCHI: 1S/C14H12N2O5S2/c17-14(21-12-6-4-11(5-7-12)16(18)19)20-9-10-22-23-13-3-1-2-8-15-13/h1-8H,9-10H2
• Isomères SMILES: C1=CC=NC(=C1)SSCCOC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
• PubChem CID: 11638899
• Poids moléculaire: 352.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Phenoxy compounds Nitroaromatic compounds Pyridines and derivatives Carbonic acid diesters Heteroaromatic compounds Organic disulfides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Carbonic acid diester - Pyridine - Heteroaromatic compound - C-nitro compound - Carbonic acid derivative - Organic disulfide - Organic nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 352.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 352.019 Da
• Monoisotopic Mass: 352.019 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 386.000
• 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

Foire aux questions

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 874302-76-8, the molecular formula is C14H12N2O5S2, and the molecular weight is 352.39 g/mol. InChIKey JHDROZPIXZYTMZ-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.