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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Product Describtion:
Sulfinpyrazone is a free radical scavenger that is an inhibitor of organic anion transporters (OATP) and is an effective uricosuric chemical. It is a proposed nonselective UGT (UDP-glucuronosyltransferases) inhibitor. The transport of sulfinpyrazone in MDCKII-MRP1 cells is associated with GSH export, except in high concentrations, and is a substrate for MRP2 (multidrug resistance protein).
Product Application:
cleaning products,cosmetics,food and beverages,forensics and toxicology,personal care,pharmaceutical (small molecule),veterinary
| Canonical Smiles | C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione |
| InChIKey | MBGGBVCUIVRRBF-UHFFFAOYSA-N |
| INCHI | 1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2 |
| Isomeric SMILES | C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4 |
| WGK Germany | 3 |
| RTECS | UQ8575000 |
| PubChem CID | 5342 |
| Molecular Weight | 404.48 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenyl sulfoxides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyl sulfoxides |
| Alternative Parents | Pyrazolidinones 1,3-dicarbonyl compounds Sulfoxides Carboxylic acid hydrazides Sulfinyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl sulfoxide - Pyrazolidinone - 1,3-dicarbonyl compound - Pyrazolidine - Carboxylic acid hydrazide - Sulfoxide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl group. |
| External Descriptors | sulfoxide - pyrazolidines |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Melt Point(°C) | 131 °C |
|---|---|
| Molecular Weight | 404.500 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 404.119 Da |
| Monoisotopic Mass | 404.119 Da |
| Topological Polar Surface Area | 76.900 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 571.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Jingxuan Qiu, Xinzhu Zhao, Gang Liu, Chaoqun Zhang, Libo Wang, Yeming Wang, Shizhe Li, Lei Wang, Cen Yao, Liping Zhao, Peng Wang, Jia Zhang, Jing Lin, Rui Zhang, Yunchun Guo, Huiliang Wang. (2023) Solubility Behavior and Data Correlation of Sulfinpyrazone in Thirteen Pure Solvents from 283.15 to 323.15 K. JOURNAL OF CHEMICAL AND ENGINEERING DATA, [PMID:] [10.1021/acs.jced.3c00463] |
| 2. Chen Sun, Mingyu Zhang, Yanhong Zhao, Jianxin Pang, Ying Peng, Jiang Zheng. (2020) An LC-MS/MS- and hURAT1 cell-based approach for screening of uricosuric agents. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, [PMID:32905987] [10.1016/j.jchromb.2020.122336] |
| 3. Chen Chen, Peng Shi, Haihua Wu, Tingting Zhang, Min Zhang, Xueyao Zhang. (2026) The transcription factor CncC/Maf modulates imidacloprid susceptibility by regulating UGT392C1 in Locusta migratoria. PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY, [PMID:41831881] [10.1016/j.pestbp.2026.107013] |
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