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CPPD-Q

CAT: 0804-HY-W728085-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W728085-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CPPD-Q is an antimicrobial agent and insecticide. CPPD-Q has an EC50 of 6.98 mg/L against Vibrio fischeri. At doses of 1 or 10 µg/mL, CPPD-Q exerts its insecticidal effect by inducing the production of reactive oxygen species (ROS) in the intestines of Caenorhabditis elegans[1][2].
CAS Number
68054-78-4
UNSPSC
12352005
Target
Antibiotic; Bacterial; Insecticide; Reactive Oxygen Species (ROS)
Related Pathways
Anti-infection; Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB; Others
Field of Research
Infection
Purity
98.25
Smiles
O=C1C(NC2CCCCC2)=CC(C(NC3=CC=CC=C3)=C1)=O
Molecular Formula
C18H20N2O2
Molecular Weight
296.36
References & Citations
[1]Wang Y, et al. Comparison of intestinal toxicity in enhancing intestinal permeability and in causing ROS production of six PPD quinones in Caenorhabditis elegans. Sci Total Environ. 2024 Jun 1;927:172306.|[2]Wang W, et al. Toxicity of substituted p-phenylenediamine antioxidants and their derived novel quinones on aquatic bacterium: Acute effects and mechanistic insights. J Hazard Mater. 2024 May 5;469:133900.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(Cyclohexylamino)-5-(phenylamino)-2,5-cyclohexadiene-1,4-dione
CAS Number68054-78-4
PubChem CID12413093
IUPAC Name2-anilino-5-(cyclohexylamino)cyclohexa-2,5-diene-1,4-dione
Molecular FormulaC18H20N2O2
Molecular Weight296.4
XLogP3.8
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity495
SMILES
C1CCC(CC1)NC2=CC(=O)C(=CC2=O)NC3=CC=CC=C3
InChI
InChI=1S/C18H20N2O2/c21-17-12-16(20-14-9-5-2-6-10-14)18(22)11-15(17)19-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14,19-20H,2,5-6,9-10H2
InChIKey
UBQBKNFAICQJRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Cyclohexylamino)-5-(phenylamino)-2,5-cyclohexadiene-1,4-dione
CAS: 68054-78-4
CID: 12413093
Formula: C18H20N2O2
MW: 296.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass296.152477885
Monoisotopic Mass296.152477885
Topological Polar Surface Area58.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity495
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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