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ER-000444793 (Standard)

CAT: 0804-HY-100852RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-100852RSize:1 Each
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Description
ER-000444793 (Standard) is the analytical standard of ER-000444793. This product is intended for research and analytical applications. ER-000444793 is a potent inhibitor of mitochondrial permeability transition pore (mPTP) opening. ER-000444793 inhibits mPTP with an IC50 of 2.8 μM.
CAS Number
792957-74-5
Target
Mitochondrial Metabolism; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Cancer
Smiles
O=C(NC1=C(CC2=CC=CC=C2)C=CC=C1)C(C3=CC=CC=C3N4)=CC4=O
Molecular Formula
C23H18N2O2
Molecular Weight
354.40
References & Citations
[1]Briston T, et al. Identification of ER-000444793, a Cyclophilin D-independent inhibitor of mitochondrial permeability transition, using a high-throughput screen in cryopreserved mitochondria. Sci Rep. 2016 Nov 25;6:37798.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

N-(2-benzylphenyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide
CAS Number792957-74-5
PubChem CID2547533
IUPAC NameN-(2-benzylphenyl)-2-oxo-1H-quinoline-4-carboxamide
Molecular FormulaC23H18N2O2
Molecular Weight354.4
XLogP3.8
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity579
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C3=CC(=O)NC4=CC=CC=C43
InChI
InChI=1S/C23H18N2O2/c26-22-15-19(18-11-5-7-13-21(18)24-22)23(27)25-20-12-6-4-10-17(20)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,24,26)(H,25,27)
InChIKey
OIZPRRGJIHYZAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-benzylphenyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide
CAS: 792957-74-5
CID: 2547533
Formula: C23H18N2O2
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass354.136827821
Monoisotopic Mass354.136827821
Topological Polar Surface Area58.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity579
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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