Sulfalene

Base Information

• Chemical Name: Sulfalene
• CAS No.: 152-47-6
• Molecular Formula: C11H12N4O3S
• Molecular Weight: 280.307
• Hs Code.: 2935009090
• European Community (EC) Number: 205-804-7
• NSC Number: 110433
• UNII: T6BL4ZC15G
• DSSTox Substance ID: DTXSID2046179
• Nikkaji Number: J3.271I
• Wikipedia: Sulfalene
• Wikidata: Q6577302
• NCI Thesaurus Code: C80793
• Metabolomics Workbench ID: 42981
• ChEMBL ID: CHEMBL1525826
• Mol file: 152-47-6.mol

Synonyms:Kelfizine;Longum;Sulfalene;Sulfamethopyrazine;Sulfamethoxypyrazine;Sulfametopyrazine;Sulfapyrazinmethoxine;Sulphalene;Sulphametopyrazine

Chemical Property of Sulfalene

Chemical Property:

• Appearance/Colour: White or slightly yellow crystal powder
• Vapor Pressure: 1.07E-09mmHg at 25°C
• Melting Point: 174~178 °C
• Refractive Index: 1.646
• Boiling Point: 488.6 °C at 760 mmHg
• PKA: pKa 6.20(H2O t = 25.0±0.5 I = 0.2) (Uncertain)
• Flash Point: 249.3 °C
• PSA: 115.58000
• Density: 1.465 g/cm³
• LogP: 2.60320
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly, heated)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 280.06301143
• Heavy Atom Count: 19
• Complexity: 376

Purity/Quality:

99% ^*data from raw suppliers

Sulfamethoxypyrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N
• Recent NIPH Clinical Trials: Randomized Controlled Trial of Bifidobacterium longum BB536 in Patients with Chronic Constipation
• Uses: A possible antimalarial drug.
• Therapeutic Function: Antibacterial

Technology Process of Sulfalene

There total 4 articles about Sulfalene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-acetylamino-N-(3-methoxy-pyrazin-2-yl)-benzenesulfonamide (655-78-7) → Sulfalen (152-47-6)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1021/cg400666v

Reference yield:

2-amino-3-methoxypyrazine (4774-10-1) → Sulfalen (152-47-6)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 0 - 60 °C / Inert atmosphere

2: sodium hydroxide / water / 4 h / 105 °C / Inert atmosphere

With sodium hydroxide; In pyridine; water;

DOI:10.1039/c3md00278k

Reference yield:

2-amino-3-methoxypyrazine (4774-10-1) + p-acetylaminobenzenesulfonyl chloride (121-60-8) → Sulfalen (152-47-6)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: sodium hydroxide / water

With pyridine; sodium hydroxide; In water;

DOI:10.1021/cg400666v

upstream raw materials:

2-amino-3-methoxypyrazine

p-acetylaminobenzenesulfonyl chloride

4-acetylamino-N-(3-methoxy-pyrazin-2-yl)-benzenesulfonamide

Downstream raw materials:

(2E)-N-[4-[[(3-methoxy-2-pyrazinyl)amino]sulfonyl]phenyl]-3-(5-nitro-2-thienyl)-2-propenamide

(E)-N-(4-(N-(3-methoxypyrazin-2-yl)sulfamoyl)phenyl)-3-(thiophen-2-yl)acrylamide

N-(4-(N-(3-methoxypyrazin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophen-2-yl)propanamide

N-(4-(N-(3-methoxypyrazin-2-yl)sulfamoyl)phenyl)-3-(thiophen-2-yl)propanamide

Refernces

• 1、 Perlovich, German L.,Ryzhakov, Alex M.,Tkachev, Valery V.,Hansen, Lars Kr.,Raevsky, Oleg A.. "Sulfonamide molecular crystals: Structure, sublimation thermodynamic characteristics, molecular packing, hydrogen bonds networks". . p. 4002 - 4016. Retrieved 2013/09/24.