Fidarestat - ≥99% , CAS No.136087-85-9

CAS: 136087-85-9 Cat. No.: F651787 Formule: C₁₂H₁₀FN₃O₄ Poids moléculaire: 279.22 PubChem CID: 160024

GRADE & PURITY ≥99%

Synonyms

NCGC00167477-01 | SCHEMBL48827 | Spiro(4H-1-benzopyran-4,4'-imidazolidine)-2-carboxamide, 2,3-dihydro-2',5'-dioxo-6-fluoro-, (2S-cis)- | Spiro(4H-1-benzopyran-4,4'-imidazolidine)-2-carboxamide, 6-fluoro-2,3-dihydro-2',5'-dioxo-, (2S-cis)- | AKOS016011245

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Fidarestat (SNK 860) is an inhibitor of aldose reductase , with IC 50 s of 26 nM, 33 μM, and 1.8 μM for aldose reductase , AKR1B10 and V301L AKR1B10, respectively; Fidarestat (SNK 860) has the potential to treat diabetic disease.

In Vitro

Fidarestat is an inhibitor of aldose reductase, with IC 50 s of 26 nM, 33 μM, and 1.8 μM for aldose reductase, AKR1B10 and V301L AKR1B10, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Fidarestat (SNK-860; 1 or 4 mg/kg. p.o., daily for 4 weeks) reduces the concentrations of sorbitol and fructose in diabetic rats. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 26 nM (Aldose reductase), 33 μM (AKR1B10), 1.8 μM (V301L AKR1B10)

Specifications

Synonymes

NCGC00167477-01 | SCHEMBL48827 | Spiro(4H-1-benzopyran-4,4'-imidazolidine)-2-carboxamide, 2,3-dihydro-2',5'-dioxo-6-fluoro-, (2S-cis)- | Spiro(4H-1-benzopyran-4,4'-imidazolidine)-2-carboxamide, 6-fluoro-2,3-dihydro-2',5'-dioxo-, (2S-cis)- | AKOS016011245

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

Fidarestat (SNK 860) is an inhibitor of aldose reductase , with IC 50 s of 26 nM, 33 μM, and 1.8 μM for aldose reductase , AKR1B10 and V301L AKR1B10, respectively; Fidarestat (SNK 860) has the potential to treat diabetic disease.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

Sourires canoniques

C1C(OC2=C(C13C(=O)NC(=O)N3)C=C(C=C2)F)C(=O)N

IUPAC Name

(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide

InChIKey

WAAPEIZFCHNLKK-UFBFGSQYSA-N

INCHI

1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1

Isomères SMILES

C1[C@H](OC2=C([C@]13C(=O)NC(=O)N3)C=C(C=C2)F)C(=O)N

CAS alternatif

136087-85-9

PubChem CID

160024

Termes d'entrée MeSH

(2S,4S)-6-fluoro-2',5'-dioxospiro(chroman-4,4'-imidazolidine)-2-carboxamide;fidarestat;SNK 860;SNK-860

Poids moléculaire

279.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azolidines
      • Subclass Imidazolidines
        • Level5 Imidazolidinones
          • Level6 Imidazolidinediones
            • Level7 Hydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones
• Direct Parent: Hydantoins
• Alternative Parents: 1-benzopyrans Alpha amino acids and derivatives 5-monosubstituted hydantoins Alkyl aryl ethers N-acyl ureas Aryl fluorides Benzenoids Dicarboximides Primary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydantoin - Alpha-amino acid or derivatives - Chromane - Benzopyran - 1-benzopyran - 5-monosubstituted hydantoin - Alkyl aryl ether - Ureide - N-acyl urea - Aryl fluoride - Aryl halide - Benzenoid - Dicarboximide - Carboxamide group - Urea - Primary carboxylic acid amide - Carbonic acid derivative - Ether - Azacycle - Carboxylic acid derivative - Oxacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
• 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

Cibles associées (humaines)

AKR1B1 Tclin Aldose reductase (7 Activities)

Discover Target: AKR1B1

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

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AKR1A1 Tchem Aldehyde reductase (91 Activities)

Discover Target: AKR1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 250 mg/mL (895.35 mM; Need ultrasonic)
• Poids moléculaire: 279.220 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 279.066 Da
• Monoisotopic Mass: 279.066 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 485.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% 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.

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 136087-85-9, the molecular formula is C12H10FN3O4, and the molecular weight is 279.22 g/mol. InChIKey WAAPEIZFCHNLKK-UFBFGSQYSA-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.