sulfo-SPDB - Moligand™, ≥95% , CAS No.1193111-39-5

CAS: 1193111-39-5 Cat. No.: S651090 Molecular Weight: 406.45 PubChem CID: 53248044

GRADE & PURITY Moligand™, ≥95%

Synonyms

1-(2,5-Dioxopyrrolidin-1-Yloxy)-1-Oxo-4-(pyridin-2-Yldisulfanyl)butane-2-Sulfonic Acid

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

sulfo-SPDB is a cleavable 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:Solid

IC50& Target:Disulfide Cleavable Cleavable

Specifications

Synonyms

1-(2, 5-Dioxopyrrolidin-1-Yloxy)-1-Oxo-4-(pyridin-2-Yldisulfanyl)butane-2-Sulfonic Acid

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

sulfo-SPDB is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)C(CCSSC2=CC=CC=N2)S(=O)(=O)O
• IUPAC Name: 1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxo-4-(pyridin-2-yldisulfanyl)butane-2-sulfonic acid
• InChIKey: FUHCFUVCWLZEDQ-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O7S3/c16-11-4-5-12(17)15(11)22-13(18)9(25(19,20)21)6-8-23-24-10-3-1-2-7-14-10/h1-3,7,9H,4-6,8H2,(H,19,20,21)
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)C(CCSSC2=CC=CC=N2)S(=O)(=O)O
• PubChem CID: 53248044
• Molecular Weight: 406.45

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 Alkanesulfonic acids Dicarboximides Heteroaromatic compounds Organosulfonic acids Sulfonyls Organic disulfides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Heteroaromatic compound - Lactam - Organic disulfide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Sulfenyl compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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 : ≥ 125 mg/mL (307.54 mM)
• Sensitivity: Light sensitive
• Molecular Weight: 406.500 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 405.996 Da
• Monoisotopic Mass: 405.996 Da
• Topological Polar Surface Area: 190.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 604.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1