170856-37-8

Basic information

• Product Name: 3-(Propane-2-sulfonyl)aniline
• Synonyms: 3-(Propane-2-sulfonyl)aniline;3-[(1-methylethyl)sulfonyl]Benzenamine;3-ISOPROPYLSULFONYLANILINE
• CAS NO: 170856-37-8
• Molecular Formula: C9H13NO2S
• Molecular Weight: 199.27002
• Mol File: 170856-37-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 402.0±37.0 °C(Predicted)
• Appearance: /
• Density: 1.194±0.06 g/cm3(Predicted)
• PKA: 2.75±0.10(Predicted)
• CAS DataBase Reference: 3-(Propane-2-sulfonyl)aniline(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(Propane-2-sulfonyl)aniline(170856-37-8)
• EPA Substance Registry System: 3-(Propane-2-sulfonyl)aniline(170856-37-8)

Safety Data

• Hazardous Substances Data: 170856-37-8(Hazardous Substances Data)

Usage

Uses

3-(Propane-2-sulfonyl)aniline is used as a reactant in the preparation of aryltriazinediamines as IDH2 inhibitors useful in the treatment of cancer.

Upstream product

• 80213-20-3 1-nitro-3-(propane-2-sulfonyl)benzene 
• 4238-09-9 phenyl isopropyl sulfone 
• 537-91-7 bis(3-nitrophenyl) disulfide 
• 70415-89-3 1-nitro-3-(propan-2-ylsulfanyl)benzene 

Downstream Products

• 1097920-31-4 N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N'-[3-(propane-2-sulfonyl)phenyl]-1,3,5-triazine-2,4-diamine 

Relevant articles and documents

Discovery of N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N′-[2-(propane-2-sulfonyl)phenyl]-1,3,5-triazine-2,4-diamine (ASP3026), a potent and selective anaplastic lymphoma kinase (ALK) inhibitor

Anaplastic lymphoma kinase (ALK) is a validated therapeutic target for treating echinoderm microtubule- associated protein-like 4 (EML4)-ALK positive non-small cell lung cancer (NSCLC). We synthesized a series of 1,3,5-triazine derivatives and identified ASP3026 (14a) as a potent and selective ALK inhibitor. In mice xenografted with NCI-H2228 cells expressing EML4-ALK, once-daily oral administration of 14a demonstrated dose-dependent antitumor activity. Here, syntheses and structure-activity relationship (SAR) studies of 1,3,5-triazine derivatives are described.

Syntheses of Some Alkyl, Cycloalkyl and Aryl 3-Aminophenyl Sulfones

Syntheses of alkyl (1a-1i, 1m), cycloalkyl (1j, 1k) and aryl (1l) 3-aminophenyl sulfones were achieved by ethanolic Bechamp-reduction of the appropriate 3-nitrophenyl sulfones (3a-3m).The alkyl (3a-3i) and cycloalkyl (3j, 3k) 3-nitrophenyl sulfones were p