4,4'-Diaminodiphenylsulfone - CAS 80-08-0

Catalog:	BB036465
Product Name:	4,4'-Diaminodiphenylsulfone
CAS:	80-08-0
Synonyms:	4-(4-aminophenyl)sulfonylaniline
Application:	anti-inflammatory agent

Catalog	Size	Price	Stock	Quantity
BB036465	1 kg	$299	In stock

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Technical Data

IUPAC Name:	4-(4-aminophenyl)sulfonylaniline
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.
Molecular Weight:	248.30
Molecular Formula:	C12H12N2O2S
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
Storage:	-20ºC Freezer
Decomposition:	When heated to decomposition it emits very toxic fumes of /nitrogen and sulfur oxides
MDL:	MFCD00007887
LogP:	3.92700
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
Vapor Pressure:	0.00000003 [mmHg]

GHS Hazard Statement:	H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

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US-11015113-B1	Wet-coated proppant and methods of making and using same	20200413
US-10980756-B1	Methods of treatment	20200316
EP-3843105-A1	Control device for aerosol nebulizer system	20191223
WO-2021119749-A1	Treatment of gastrointestinal disease	20191220
WO-2021123196-A1	Seeded resin-stabilized high-solids emulsion polymers	20191220

PMID	Publication Date	Title	Journal
31428780	20191201	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	20180601	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
25834921	20160101	Effects of notoginsenoside R1 on CYP1A2, CYP2C11, CYP2D1, and CYP3A1/2 activities in rats by cocktail probe drugs	Pharmaceutical biology
24085192	20140101	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	20131101	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development	Toxicological sciences : an official journal of the Society of Toxicology

Complexity:	306
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.06194880
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	248.06194880
Rotatable Bond Count:	2
Topological Polar Surface Area:	94.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1