4,4'-Diaminodiphenylsulfone

Catalog Number Size Price Stock Quantity
B0084-393435 1 kg $299 In stock
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Product Information

Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.30
Description
Dapsone is a sulfone active against a wide range of bacteria but mainly employed for its actions against mycobacterium leprae, which has anti-inflammatory and immunomodulatory effects. It is an antibacterial most commonly used in combination with rifampicin and clofazimine as multidrug therapy (MDT) for the treatment of Mycobacterium leprae infections (leprosy). It antagonized all of the I/R end points measured, showing a remarkable ability to decrease markers of damage through antioxidant, antiinflammatory, and anti-apoptotic effects. It also inhibits bacterial synthesis of dihydrofolic acid, via competition with para-aminobenzoate for the active site of dihydropteroate synthetase.
Synonyms
4-(4-aminophenyl)sulfonylaniline
IUPAC Name
4-(4-aminophenyl)sulfonylaniline
Canonical SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N
InChI
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
InChI Key
MQJKPEGWNLWLTK-UHFFFAOYSA-N
Boiling Point
511.7 ℃ at 760 mmHg
Melting Point
175.5 ℃
Flash Point
263.2ºC
Purity
> 98 %
Density
1.361 g/cm3
Solubility
>37.2 ug/mL
Appearance
White crystalline powder
Application
anti-inflammatory agent
Storage
-20ºC Freezer
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
LogP
3.92700
Vapor Pressure
0.00000003 [mmHg]
Henry's Law Constant
3.11X10-14 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomposition it emits very toxic fumes of /nitrogen and sulfur oxides
Dissociation Constants
2.41
Odor
Odorless

Safety Information

Precautionary Statement
P264, P270, P301+P312, P330, and P501
Signal Word
Warning

Computed Properties

XLogP3
1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
248.06194880 g/mol
Monoisotopic Mass
248.06194880 g/mol
Topological Polar Surface Area
94.6Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
306
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
US-11015113-B1 Wet-coated proppant and methods of making and using same 2020-04-13
US-10980756-B1 Methods of treatment 2020-03-16
EP-3843105-A1 Control device for aerosol nebulizer system 2019-12-23
WO-2021119749-A1 Treatment of gastrointestinal disease 2019-12-20
WO-2021123196-A1 Seeded resin-stabilized high-solids emulsion polymers 2019-12-20
WO-2021125132-A1 Carbamoyl oxime compound, and polymerization initiator and polymerizable composition containing said compound 2019-12-20
WO-2021127107-A1 Topical pharmaceutical compositions for treating onychomycosis 2019-12-20
WO-2021127235-A1 Compositions for modulating gut microflora populations, enhancing drug potency and treating cancer, and methods for making and using same 2019-12-20
WO-2021127452-A1 Compounds for the treatment of bacterial infections and potentiation of antibiotics 2019-12-19
US-2021189066-A1 Polyimide precursor solution and method for producing polyimide film 2019-12-18

Literatures

PMID Publication Date Title Journal
33814510 2021-01-01 Association of CYP1A1 and CYP1B1 inhibition in in vitro assays with drug-induced liver injury The Journal of toxicological sciences
31428780 2019-12-01 Dapsone Hydroxylamine, an Active Metabolite of Dapsone, Can Promote the Procoagulant Activity of Red Blood Cells and Thrombosis Toxicological sciences : an official journal of the Society of Toxicology
29594315 2018-06-01 Profiling the immunotoxicity of chemicals based on in vitro evaluation by a combination of the Multi-ImmunoTox assay and the IL-8 Luc assay Archives of toxicology
24085192 2014-01-01 A correlation between the in vitro drug toxicity of drugs to cell lines that express human P450s and their propensity to cause liver injury in humans Toxicological sciences : an official journal of the Society of Toxicology
23956101 2013-11-01 A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development Toxicological sciences : an official journal of the Society of Toxicology
23571415 2013-06-01 Structure-based identification of OATP1B1/3 inhibitors Molecular pharmacology
22901017 2012-11-01 Prurigo pigmentosa: clinicopathological study and analysis of 50 cases in Korea The Journal of dermatology
22982145 2012-10-18 Protective effect of N,N'-dialkylated analogs of 4,4'-diaminodiphenylsulfone in a model of intrastriatal quinolinic acid induced-excitotoxicity Neuroscience letters
23088464 2012-10-01 Split calibration curve: an approach to avoid repeat analysis of the samples exceeding ULOQ Bioanalysis
21966900 2012-09-01 Childhood epidermolysis bullosa acquisita: report of a Chinese case Pediatric dermatology
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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