N-Succinimidyl 4-(2-pyridyldithio)butanoate - ≥95% , CAS No.115088-06-7

CAS: 115088-06-7 Cat. No.: N302248 Molecular Weight: 326.39 EC Number: 634-558-7

GRADE & PURITY ≥95%

Synonyms

PD052588 | BS-14475 | SPDB disulfide heterobifunctional cross-linker | AKOS027256696 | FAX2C2TAW1 | SPDB crosslinker | (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)butanoate | LCZC2675 | SCHEMBL107907 | JSHOVKSMJRQOGY-UHFFFAOYSA-N | SPDB | UNII-FA

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

SPDB is a glutathione cleavable ADC linker used for the antibody-drug conjugate (ADCs).

Specifications

Synonyms

PD052588 | BS-14475 | SPDB disulfide heterobifunctional cross-linker | AKOS027256696 | FAX2C2TAW1 | SPDB crosslinker | (2, 5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)butanoate | LCZC2675 | SCHEMBL107907 | JSHOVKSMJRQOGY-UHFFFAOYSA-N | SPDB | UNII-FA

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)CCCSSC2=CC=CC=N2
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)butanoate
• InChIKey: JSHOVKSMJRQOGY-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O4S2/c16-11-6-7-12(17)15(11)19-13(18)5-3-9-20-21-10-4-1-2-8-14-10/h1-2,4,8H,3,5-7,9H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CCCSSC2=CC=CC=N2
• Molecular Weight: 326.39
• Reaxy-Rn: 10682967
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10682967&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Pyrrolidine-2-ones Heteroaromatic compounds Dicarboximides Organic disulfides Lactams Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Heteroaromatic compound - Pyrrolidine - Lactam - Organic disulfide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: DMSO: 10 mM
• Molecular Weight: 326.400 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 326.039 Da
• Monoisotopic Mass: 326.039 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 390.000
• 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