Sulfasalazine - Moligand™, ≥98% , Inhibitor of Proton-coupled folate transporter, CAS No.599-79-1, Inhibitor of Proton-coupled folate transporter

CAS: 599-79-1 Cat. No.: S129986 Molecular Weight: 398.39 Beilstein Registry Number: 356241 EC Number: 209-974-3 PubChem CID: 5339

GRADE & PURITY Moligand™, ≥98%

Synonyms

5-(4-(2-Pyridylsulfamoyl)phenylazo)-2-hydroxybenzoic acid | Sulphasalazine | BSPBio_002888 | NSC203730 | NSC-203730 | DTXCID401256 | Iwata | NSC 203730 | Benzosulfa | Sulfasalazina | sulfasalazine | w-t Sasp oral | 2-hydroxy-5-[(E)-{4-[(pyridin-2-ylamino)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Sulfasalazine is a sulfa agent and a derivative of mesalazine used primarily as an anti-inflammatory agent.
An inhibitor of of GSH-H-transferase and NF-kB activation and an apoptosis inducer

Specifications

Synonyms

5-(4-(2-Pyridylsulfamoyl)phenylazo)-2-hydroxybenzoic acid | Sulphasalazine | BSPBio_002888 | NSC203730 | NSC-203730 | DTXCID401256 | Iwata | NSC 203730 | Benzosulfa | Sulfasalazina | sulfasalazine | w-t Sasp oral | 2-hydroxy-5-[(E)-{4-[(pyridin-2-ylamino)

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Inhibitor of NF-κB activation. Inhibitsin vitrogrowth of the human pancreatic cancer cell lines MIA PaCa-2 and PANC-1, and induces apoptosis in glioblastoma cell lines. Also inhibits the cystine-glutamate antiporter, system Xc(SXC). Inhibitor of folate tr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Proton-coupled folate transporter

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488179898
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179898
• Canonical Smiles: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O
• IUPAC Name: 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
• InChIKey: NCEXYHBECQHGNR-UHFFFAOYSA-N
• INCHI: 1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
• Isomeric SMILES: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O
• WGK Germany: 2
• RTECS: VO6250000
• PubChem CID: 5339
• Molecular Weight: 398.39
• Beilstein: 356241
• Reaxy-Rn: 356241

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Salicylic acids Benzenesulfonamides Benzenesulfonyl compounds Benzoic acids Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Organosulfonamides Imidolactams Vinylogous acids Aminosulfonyl compounds Heteroaromatic compounds Azo compounds Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Azobenzene - Benzenesulfonamide - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Vinylogous acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Azo compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• External Descriptors: Not available

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)

SLC46A1 Tchem Proton-coupled folate transporter (1 Activities)

Discover Target: SLC46A1

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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 39.84, Max Conc. mM: 100
• Sensitivity: Light sensitive
• Melt Point(°C): 260-265°C
• Molecular Weight: 398.400 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 398.068 Da
• Monoisotopic Mass: 398.068 Da
• Topological Polar Surface Area: 150.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 657.000
• 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

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