(±)-Sulfinpyrazone - Moligand™, ≥96% , Antagonist of FPR1;Inhibitor of Urate anion exchanger 1, CAS No.57-96-5, Antagonist of FPR1;Inhibitor of Urate anion exchanger 1

CAS: 57-96-5 Cat. No.: X139028 分子式: C₂₃H₂₀N₂O₃S 分子量: 404.48 EC番号: 200-357-4 PubChem CID: 5342

GRADE & PURITY Moligand™, ≥96%

Synonyms

4-(2-Benzenesulfinylethyl)-1,2-diphenylpyrazolidine-3,5-dione | Anturidin | DTXCID003618 | M04AB02 | sulfinpyrazone (SPZ) | Sulfinpyrazone [USP:INN:BAN:JAN] | HMS3712J22 | Prestwick_455 | Sulfinpyrazone (JAN/USP/INN) | SULFINPYRAZONE [INN] | Spectrum5_000

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

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

Specifications

同義語

4-(2-Benzenesulfinylethyl)-1,2-diphenylpyrazolidine-3,5-dione | Anturidin | DTXCID003618 | M04AB02 | sulfinpyrazone (SPZ) | Sulfinpyrazone [USP:INN:BAN:JAN] | HMS3712J22 | Prestwick_455 | Sulfinpyrazone (JAN/USP/INN) | SULFINPYRAZONE [INN] | Spectrum5_000

仕様と純度

Moligand™, ≥96%

生化学的・生理学的メカニズム

Sulfamethoxazole, one of the most studied inhibitors of Platelet Cox, is an acid excretory agent that reabsorbs Competitive inhibition acid in the proximal tubules of the kidney.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ANTAGONIST, INHIBITOR

作用メカニズム

Antagonist of FPR1;Inhibitor of Urate anion exchanger 1

注

Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥96%

名前と識別子

• パブケム・シド: 504750874
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504750874
• カノニカル・スマイル: 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
• 異性体SMILES: C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4
• WGKドイツ: 3
• RTECS: UQ8575000
• PubChem CID: 5342
• 分子量: 404.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Phenyl sulfoxides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

SLC22A12 Tclin Solute carrier family 22 member 12 (1 Activities)

Discover Target: SLC22A12

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FPR1 Tchem fMet-Leu-Phe receptor (1 Activities)

Discover Target: FPR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NAPRT Tchem Nicotinate phosphoribosyltransferase (0 Activities)

Discover Target: NAPRT

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

化学的性質と物理的性質

• 溶解度: Slightly soluble in water; Soluble in Acetone,Chloroform; Slightly soluble in Alcohol,Ether
• 融点（°C）: 131 °C
• 分子量: 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

参考文献

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]

4. Yuan Yue, Zou Yaqin, Zeng Kaiyi, Duan Wenyan, Ren Feiyue, Ye Liutong, Fang Jingjing, Xu Zhihong, Zhang Xiaolei, Li Junkai.  (2026)  Effects of host plants on the insecticide susceptibility of Spodoptera frugiperda.  JOURNAL OF PEST SCIENCE,  99  (3): (109).  [PMID:] [10.1007/s10340-026-02062-w]

5. Tao Li, Yi Huang, Lisha Yuan, Shanchun Yan, Dun Jiang.  (2026)  The HcUGT40R20 mediates the host plant adaptation of Hyphantria cunea: Providing a potential target for RNAi-based formulation control strategies.  Insect Science,      [PMID:42444613] [10.1111/1744-7917.70318]

よくある質問

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 57-96-5, the molecular formula is C23H20N2O3S, and the molecular weight is 404.48 g/mol. InChIKey MBGGBVCUIVRRBF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.