Dapsone-D8 - ≥98 atom% D,≥95% , CAS No.557794-38-4

CAS: 557794-38-4 Cat. No.: D266079 Formula: C₁₂H₄D₈N₂O₂S Molecular Weight: 256.35

GRADE & PURITY ≥98 atom% D,≥95%

Synonyms

4,4′-Diaminodiphenyl sulfone-d8 | DDS-d8

Storage

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

Shipped In

Ice chest + Ice pads

Overview

Dapsone-D8 is a deuterated derivative of dapsone. Dapsone is a sulfone antibiotic with blood‑brain barrier permeability, possessing antibacterial, antiprotozoal and anti‑inflammatory activities. It exhibits potent anti-leprosy activity by inhibiting folate synthesis in Mycobacterium leprae cells. Dapsone can be used as an anticonvulsant and is also applied in the research of skin diseases and glioblastoma.

Specifications

Synonyms

4,4′-Diaminodiphenyl sulfone-d8 | DDS-d8

Specifications & Purity

≥98 atom% D,≥95%

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.

Action Type

INHIBITOR

Purity

≥98 atom% D,≥95%

Names and Identifiers

Canonical Smiles

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N

IUPAC Name

4-(4-amino-2,3,5,6-tetradeuteriophenyl)sulfonyl-2,3,5,6-tetradeuterioaniline

InChIKey

MQJKPEGWNLWLTK-PGRXLJNUSA-N

INCHI

1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2/i1D,2D,3D,4D,5D,6D,7D,8D

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)C2=C(C(=C(C(=C2[2H])[2H])N)[2H])[2H])[2H]

Alternate CAS

80-08-0(unlabeled)

Molecular Weight

256.35

Reaxy-Rn

788055

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=788055&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Aniline and substituted anilines Sulfones Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Aniline or substituted anilines - Sulfonyl - Sulfone - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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

Chemical and Physical Properties

• Solubility: Solubility in DMSO:250 mg/mL (975.23 mM; assisted by ultrasonication)
• Sensitivity: Light sensitive；Moisture sensitive
• Molecular Weight: 256.350 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 256.112 Da
• Monoisotopic Mass: 256.112 Da
• Topological Polar Surface Area: 94.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 306.000
• Isotope Atom Count: 8
• 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