53250-82-1

Basic information

• Product Name: 4-(Methylsulfonamido)aniline
• Synonyms: 4-(Methylsulfonamido)aniline;N-(4-AMINOPHENYL)METHANESULFONAMIDE;N-(4-Amino-phenyl)methanesulfonamide ,97%;N-(4-aminophenyl)methanesulfonamide(SALTDATA: FREE);4-(Methylsulfonamido)
• CAS NO: 53250-82-1
• Molecular Formula: C₇H₁₀N₂O₂S
• Molecular Weight: 186.23
• Product Categories: Amines and Anilines
• Mol File: 53250-82-1.mol
• Article Data: 22

Chemical Properties

• Melting Point: 116-117.5 °C
• Boiling Point: 362.2 °C at 760 mmHg
• Flash Point: 172.8 °C
• Appearance: /
• Density: 1.408 g/cm³
• Vapor Pressure: 1.97E-05mmHg at 25°C
• Refractive Index: 1.637
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 9.90±0.10(Predicted)
• CAS DataBase Reference: 4-(Methylsulfonamido)aniline(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Methylsulfonamido)aniline(53250-82-1)
• EPA Substance Registry System: 4-(Methylsulfonamido)aniline(53250-82-1)

Safety Data

• Hazardous Substances Data: 53250-82-1(Hazardous Substances Data)

Usage

Description

4-(Methylsulfonamido)aniline, also known as N-(4-Aminophenyl)methanesulfonamide, is an organic compound with the molecular formula C7H10N2O2S. It is a colorless to pale yellow crystalline solid and is soluble in water. 4-(Methylsulfonamido)aniline is characterized by the presence of an aniline group (an amine with a phenyl ring) and a methylsulfonamide group, which contributes to its chemical reactivity and potential applications.

Uses

Used in Pharmaceutical Industry:
4-(Methylsulfonamido)aniline is used as an intermediate in the synthesis of various pharmaceutical compounds, particularly amino-methanesulfonylaminobenzenesulfonamide. This intermediate plays a crucial role in the large-scale preparation of target molecules, which may have therapeutic applications in medicine.
Used in Chemical Synthesis:
In the field of organic chemistry, 4-(Methylsulfonamido)aniline can be used as a building block for the synthesis of more complex molecules. Its reactivity with various functional groups allows for the creation of a wide range of chemical products, including dyes, pigments, and other specialty chemicals.
Used in Research and Development:
Due to its unique chemical structure, 4-(Methylsulfonamido)aniline can be employed in research and development for the study of chemical reactions, mechanisms, and the development of new synthetic methods. It may also be used to investigate the properties of related compounds and their potential applications in various industries.

InChI:InChI=1/C7H10N2O2S/c1-12(10,11)9-7-4-2-6(8)3-5-7/h2-5,9H,8H2,1H3

Upstream product

• 5825-62-7 N-(4-nitrophenyl)methanesulfonamide 
• 124-63-0 methanesulfonyl chloride 
• 106-50-3 1,4-phenylenediamine 
• 100-01-6 4-nitro-aniline 
• 77167-09-0 N-[p-(acetylamino)phenyl]methanesulfonamide 
• 71026-66-9 N-(tert-butoxycarbonyl)-1,4-phenylenediamine 

Downstream Products

• 80259-10-5 4-<(4-nitrophenyl)carbamido>methanesulfonanilide 
• 1027016-73-4 2-Chloro-N-(4-methanesulfonylamino-phenyl)-nicotinamide 
• 96-75-3 2-amino-5-nitro-benzenesulfonic acid 
• 1133793-43-7 N-[4-(7'-methoxy-2'-oxo-2H-pyrano[2,3-b]quinolin-5'-ylamino)phenyl]methanesulfonamide 
• 1133793-44-8 N-[4-(8'-methoxy-2'-oxo-2H-pyrano[2,3-b]quinolin-5'-ylamino)phenyl]methanesulfonamide 
• 1133793-45-9 N-[4-(9'-methoxy-2'-oxo-2H-pyrano[2,3-b]quinolin-5'-ylamino)phenyl]methanesulfonamide 
• 515153-01-2 C₂₄H₂₂N₄O₄S 
• 123507-54-0 N-<2-(diethylamino)ethyl>-4-<(methylsufonyl)amino>-N-<4-<(methylsulfonyl)amino>phenyl>benzamide 
• 135258-23-0 N-(2-octadecyleicosanesulfonyl)-N'-methanesulfonyl-p-quinonediimine 
• 108792-01-4 N-dichloroacetyl-N'-methanesulphonyl-1,4-benzoquinone-imine 
• 108792-12-7 N-methanesulphonyl-N'-pivaloyl-1,4-benzoquinone-imine 
• 108792-25-2 2-amino-6-methoxycarbonylaminobenzothiazole 
• 108792-17-2 (4-Methanesulfonylimino-cyclohexa-2,5-dienylidene)-carbamic acid methyl ester 
• 80266-31-5 N-(4-{3-[4-(Acridin-9-ylamino)-phenyl]-ureido}-phenyl)-methanesulfonamide; hydrochloride 

Relevant articles and documents

Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds

Targeting the protein-protein interaction (PPI) between nuclear factor erythroid 2-related factor 2 (Nrf2) and Kelch-like ECH-associated protein 1 (Keap1) is a potential therapeutic strategy to control diseases involving oxidative stress. Here, six classes of known small-molecule Keap1-Nrf2 PPI inhibitors were dissected into 77 fragments in a fragment-based deconstruction reconstruction (FBDR) study and tested in four orthogonal assays. This gave 17 fragment hits of which six were shown by X-ray crystallography to bind in the Keap1 Kelch binding pocket. Two hits were merged into compound 8 with a 220-380-fold stronger affinity (Ki = 16 μM) relative to the parent fragments. Systematic optimization resulted in several novel analogues with Ki values of 0.04-0.5 μM, binding modes determined by X-ray crystallography, and enhanced microsomal stability. This demonstrates how FBDR can be used to find new fragment hits, elucidate important ligand-protein interactions, and identify new potent inhibitors of the Keap1-Nrf2 PPI.

5-SULFAMOYL-2-HYDROXYBENZAMIDE DERIVATIVES

The invention is directed to substituted salicylamide derivatives. Specifically, the invention is directed to compounds according to Formula (I): wherein R, R1 and R2 are as defined herein, or a pharmaceutically acceptable salt thereof. The compounds of the invention are inhibitors of CD73 and can be useful in the treatment of cancer, pre-cancerous syndromes and diseases associated with CD73 inhibition, such as AIDS, the treatment of HIV, autoimmune diseases, infections, atherosclerosis, and ischemia–reperfusion injury. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting CD73 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES

Described herein are compounds of Formula I, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or conditions in need of inhibition of heparan sulfate biosynthesis.