PDEC-NB - ≥98% , CAS No.874302-76-8

CAS: 874302-76-8 Cat. No.: P412473 Summenformel: C₁₄H₁₂N₂O₅S₂ Molekulargewicht: 352.39 PubChem CID: 11638899

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

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

Specifications

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504766615
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766615
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC=NC(=C1)SSCCOC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
• PubChem CID: 11638899
• Molekulargewicht: 352.39

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro
• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 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.