89-36-1

Basic information

• Product Name: 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one
• Synonyms: 3-METHYL-1-(P-SULFOPHENYL)-2-PYRAZOLIN-5-ONE 98%;3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one, 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid;4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-yl)benzenesulfonic acid;Pyrazolic acid;3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one,98%,pract.;4-acid pyrazolone;-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one;4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
• CAS NO: 89-36-1
• Molecular Formula: C₁₀H₁₀N₂O₄S
• Molecular Weight: 254.26
• EINECS: 201-901-3
• Product Categories: Heterocyclic Compounds;Building Blocks;C10;Chemical Synthesis;Heterocyclic Building Blocks;Pyrazoles;Intermediates of Dyes and Pigments
• Mol File: 89-36-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: >252 °C (dec.)(lit.)
• Boiling Point: 477oC
• Appearance: Beige powder
• Density: 1.4456 (rough estimate)
• Vapor Pressure: 0.001Pa at 20℃
• Refractive Index: 1.5650 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: pKa 4.90 (H2O t = 37 I = 0.15) (Uncertain)
• Water Solubility: 5 g/L (20 ºC)
• BRN: 619424
• CAS DataBase Reference: 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one(89-36-1)
• EPA Substance Registry System: 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one(89-36-1)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 1759 8/PG 2
• WGK Germany: 1
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 89-36-1(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 89-36-1 differently. You can refer to the following data:
1. 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one acts as a reagent for the identification of sulfonic acids as efficient ecto-5'-nucleotidase inhibitors. Ecto-5'-nucleotidase inhibition is thought to provide an attractive approach to cancer therapy.
2. 1-(4-Sulfophenyl)-3-methyl-5-pyrazolone (4-(3-methyl-5-oxo-2-pyrazolin-1-yl) benzoic acid) was used for pre-column derivatization of carbohydrates. It was also used as derivatization reagent in determination of oligosides, mannose and galactose obtained by degradation of galactomannans.

Chemical Properties

BEIGE POWDER

InChI:InChI=1/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)/p-1

Upstream product

• 141-97-9 ethyl acetoacetate 
• 98-71-5 4-hydrazino-benzenesulfonic acid 

Downstream Products

• 2785-03-7 4-{4-[2-(3-ethyl-3H-benzothiazol-2-ylidene)-ethylidene]-3-methyl-5-oxo-4,5-dihydro-pyrazol-1-yl}-benzenesulfonic acid 
• 1057507-69-3 6-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(4-sulfophenyl)-4,5-dihydro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine 
• 442651-05-0 C₂₃H₁₉N₃O₇S 

Relevant articles and documents

Virtual ligand screening of the p300/CBP histone acetyltransferase: Identification of a selective small molecule inhibitor

The histone acetyltransferase (HAT) p300/CBP is a transcriptional coactivator implicated in many gene regulatory pathways and protein acetylation events. Although p300 inhibitors have been reported, a potent, selective, and readily available active-sitedirected small molecule inhibitor is not yet known. Here we use a structure-based, in silico screening approach to identify a commercially available pyrazolone- containing small molecule p300 HAT inhibitor, C646. C646 is a competitive p300 inhibitor with a Ki of 400 nM and is selective versus other acetyltransferases. Studies on site-directed p300 HAT mutants and synthetic modifications of C646 confirm the importance of predicted interactions in conferring potency. Inhibition of histone acetylation and cell growth by C646 in cells validate its utility as a pharmacologic probe and suggest that p300/CBP HAT is a worthy anticancer target.