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HTS07545

CAT: 0013-GTR19187238-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187238-01Size:1 mg
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Description
HTS07545 is a potent and selective sulfide:quinone oxidoreductase (SQOR) inhibitor with an IC50 of 30 nM, effectively modulating cellular hydrogen sulfide metabolism. It has been utilized in research models, including in vitro enzymatic assays and in vivo studies relevant to heart failure pathophysiology, to investigate the role of H2S signaling.
CAS Number
118666-03-8
Product Name Alternative
NQO
Field of Research
Metabolism Research
Purity
99.32% (May vary between batches)
Solubility
DMSO:90 mg/mL (251.12 mM)
Smiles
C (#N) C=1C (=CC (=NC1OCC (OCC) =O) C2=CC=CC=C2) C3=CC=CC=C3
Molecular Formula
C22H18N2O3
Molecular Weight
358.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethyl 2-(3-cyano-4,6-diphenyl-2-pyridyloxy)acetate
CAS Number118666-03-8
PubChem CID2813721
IUPAC Nameethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate
Molecular FormulaC22H18N2O3
Molecular Weight358.4
XLogP4.5
Topological Polar Surface Area72.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity517
SMILES
CCOC(=O)COC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N
InChI
InChI=1S/C22H18N2O3/c1-2-26-21(25)15-27-22-19(14-23)18(16-9-5-3-6-10-16)13-20(24-22)17-11-7-4-8-12-17/h3-13H,2,15H2,1H3
InChIKey
PZNJITRXQKRPFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(3-cyano-4,6-diphenyl-2-pyridyloxy)acetate
CAS: 118666-03-8
CID: 2813721
Formula: C22H18N2O3
MW: 358.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass358.13174244
Monoisotopic Mass358.13174244
Topological Polar Surface Area72.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity517
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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