Sulfalene - Moligand™, ≥98%(HPLC) , Bacterial dihydropteroate synthase inhibitor, CAS No.152-47-6, Bacterial dihydropteroate synthase inhibitor

CAS: 152-47-6 Cat. No.: S161012 Molecular Weight: 280.3 EC Number: 205-804-7 PubChem CID: 9047

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

N(sup1)-(3-Methoxy-2-pyrazinyl)sulfanilamide | NSC110433 | Sulfalene [USAN:INN] | UNII-T6BL4ZC15G | s4976 | Sulfaleno [INN-Spanish] | Sulfamethoxypyrazine | Kelfizina | Oprea1_010520 | Sulfalene 100 microg/mL in Acetonitrile | Sulfametopyrazine | Sulfalen

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

N(sup1)-(3-Methoxy-2-pyrazinyl)sulfanilamide | NSC110433 | Sulfalene [USAN:INN] | UNII-T6BL4ZC15G | s4976 | Sulfaleno [INN-Spanish] | Sulfamethoxypyrazine | Kelfizina | Oprea1_010520 | Sulfalene 100 microg/mL in Acetonitrile | Sulfametopyrazine | Sulfalen

Specifications & Purity

Moligand™, ≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Bacterial dihydropteroate synthase inhibitor

Purity

≥98%(HPLC)

Product Properties

• ALogP: 0.7

Names and Identifiers

• Pubchem Sid: 488180928
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180928
• Canonical Smiles: COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N
• IUPAC Name: 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
• InChIKey: KXRZBTAEDBELFD-UHFFFAOYSA-N
• INCHI: 1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
• Isomeric SMILES: COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N
• RTECS: WP0175000
• PubChem CID: 9047
• Molecular Weight: 280.3
• Reaxy-Rn: 622512

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Methoxypyrazines Aniline and substituted anilines Alkyl aryl ethers Imidolactams Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Methoxypyrazine - Aniline or substituted anilines - Alkyl aryl ether - Pyrazine - Imidolactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Ether - Organoheterocyclic compound - Azacycle - Amine - Organic nitrogen compound - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• External Descriptors: pyrazines - sulfonamide - sulfonamide antibiotic

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

Associated Targets(Human)

F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

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Escherichia coli (133304 Activities)

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Enterococcus faecium (13803 Activities)

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Lacticaseibacillus casei (578 Activities)

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Plasmodium falciparum (966862 Activities)

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Plasmodium berghei (192651 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in Methanol
• Melt Point(°C): 176°C-180°C
• Molecular Weight: 280.310 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 280.063 Da
• Monoisotopic Mass: 280.063 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 376.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Zhefei Hu, Yanhao Jiang, Panpan Cao, Yanjuan Liu, Yuefei Zhang, Wei Chen, Sheng Tang.  (2023)  Performance evaluation of 2-undecylimidazole/propyl methacrylate bifunctional silica gel for mixed-mode reversed-phase/anion-exchange chromatography.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108768]

2. Zhangsong Jiang, Xiangfeng Huang, Qiaofeng Wu, Mi Li, Qili Xie, Zuwen Liu, Xiaoming Zou.  (2022)  Adsorption of sulfonamides on polyamide microplastics in an aqueous solution: behavior, structural effects, and its mechanism.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.140452]

3. Chunyan Liu, Yanjuan Liu, Yuefei Zhang, Wei Chen, Sheng Tang.  (2024)  Synergistic expression of ZIF-67 and amphiphilic polymer hydrogel in multi-mode liquid chromatographic separation.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.127827]

4. Xiao-Ming Zou, Tiao Zhang, Yu-Hua Dong, Cui Hu, Li Yin, Yu-Ling Zheng, Mi Li, Xiao-Yu Xiao, Wei Hui.  (2025)  Enhanced removal of sulfonamide antibiotics in water using high-performance S-nZVI/BC derived from rice straw.  JOURNAL OF ENVIRONMENTAL MANAGEMENT,      [PMID:39756288] [10.1016/j.jenvman.2024.123955]

5. Xiaoming Zou, Yujin Li, Yanbo Zhou, Hong Chen, Xinrong Liu, Mengting Zhang, Tongtong Dong, Ligui Wu, Lingling Rong, Yuanmin Mo.  (2025)  Unraveling the Co-Adsorption Mechanisms of Sulfonamide Antibiotics and Cu2+ on Microplastics in Aquatic Environments: Joint Effects and Molecular-Level Insights from Experiments and DFT Calculation.  ACS ES&T Water,      [PMID:] [10.1021/acsestwater.5c00734]