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COQ7-IN-2

CAT: 0804-HY-138429-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138429-01Size:5 mg
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Description
COQ7-IN-2 (compound 12) is an inhibitor of COQ7, witn IC50 values of 7.3 μM and 15.4 μM for DMQ10 and UQ10 accumulation, respectively[1].
CAS Number
2579696-76-5
UNSPSC
12352005
Target
Mitochondrial Metabolism
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/coq7-in-2.html
Concentration
10mM
Purity
99.48
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
OC1=CC(C2=CC=CC=C2)=NN1C3=NC=C(C)C=C3
Molecular Formula
C15H13N3O
Molecular Weight
251.28
References & Citations
[1]Keiko Tsuganezawa, et al. Identification of small molecule inhibitors of human COQ7. Bioorg Med Chem. 2020 Jan 1;28 (1) :115182.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Coq7-IN-2
CAS Number2579696-76-5
PubChem CID155981981
IUPAC Name2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one
Molecular FormulaC15H13N3O
Molecular Weight251.28
XLogP2.7
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity374
SMILES
CC1=CN=C(C=C1)N2C(=O)C=C(N2)C3=CC=CC=C3
InChI
InChI=1S/C15H13N3O/c1-11-7-8-14(16-10-11)18-15(19)9-13(17-18)12-5-3-2-4-6-12/h2-10,17H,1H3
InChIKey
SKJOGGJAXXEJKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Coq7-IN-2
CAS: 2579696-76-5
CID: 155981981
Formula: C15H13N3O
MW: 251.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.28
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass251.105862047
Monoisotopic Mass251.105862047
Topological Polar Surface Area45.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity374
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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