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SPL-334

CAT: 0804-HY-110295Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-110295Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SPL-334 is a potent and selective S-Nitrosoglutathione reductase (GSNOR) inhibitor. SPL-334 causes a significant reduction in the production of Th2 cytokines IL-5 and IL-13 and the levels of the chemokine CCL11 (eotaxin-1) in the airways. SPL-334 can be used in research of allergic airway inflammation[1].
CAS Number
688347-51-5
UNSPSC
12352005
Target
GSNOR
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/spl-334.html
Solubility
10 mM in DMSO
Smiles
N#CC1=C(CSC2=NC3=C(C(N2CC4=CC=C(C(O)=O)C=C4)=O)SC=C3)C=CC=C1
Molecular Formula
C22H15N3O3S2
Molecular Weight
433.50
References & Citations
[1]Ferrini ME, et, al. S-nitrosoglutathione reductase inhibition regulates allergen-induced lung inflammation and airway hyperreactivity. PLoS One. 2013 Jul 25;8 (7) :e70351.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Spl-334

inhibitor of S-nitrosoglutathione reductase

CAS Number688347-51-5
PubChem CID3651705
IUPAC Name4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid
Molecular FormulaC22H15N3O3S2
Molecular Weight433.5
XLogP4.1
Topological Polar Surface Area147
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity741
SMILES
C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)O)SC=C3)C#N
InChI
InChI=1S/C22H15N3O3S2/c23-11-16-3-1-2-4-17(16)13-30-22-24-18-9-10-29-19(18)20(26)25(22)12-14-5-7-15(8-6-14)21(27)28/h1-10H,12-13H2,(H,27,28)
InChIKey
UWWSCLNCHCROLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spl-334
CAS: 688347-51-5
CID: 3651705
Formula: C22H15N3O3S2
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass433.05548370
Monoisotopic Mass433.05548370
Topological Polar Surface Area147 Ų
Heavy Atom Count30
Formal Charge0
Complexity741
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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