CPPD-Q

CAT: 0931-T203245-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T203245-01Size:10 mg

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CAS Number

68054-78-4

Target

Reactive Oxygen Species, Antibacterial, Antibiotic

Related Pathways

Metabolism, Immunology/Inflammation, Microbiology/Virology, NF-κB

Bioactivity

CPPD-Q is an antimicrobial and insecticidal agent. It exhibits an EC50 of 6.98 mg/L against Vibrio fischer. CPPD-Q, at doses of 1 or 10 μg/mL, exerts its insecticidal effects by inducing reactive oxygen species (ROS) production in the intestines of Caenorhabditis elegans.

Smiles

O=C1C=C(NC2CCCCC2)C(=O)C=C1NC=3C=CC=CC3

Molecular Formula

C18H20N2O2

Molecular Weight

296.36

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2-(Cyclohexylamino)-5-(phenylamino)-2,5-cyclohexadiene-1,4-dione

CAS Number	68054-78-4
PubChem CID	12413093
IUPAC Name	2-anilino-5-(cyclohexylamino)cyclohexa-2,5-diene-1,4-dione
Molecular Formula	C18H20N2O2
Molecular Weight	296.4
XLogP	3.8
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	495

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

CAS: 68054-78-4

CID: 12413093

Formula: C18H20N2O2

MW: 296.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	296.4
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	296.152477885
Monoisotopic Mass	296.152477885
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	495
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
HY-W728085-01	CPPD-Q
tlrl-cppd	CPPD crystals
MBS621140-01	CENP-Q (Centromere Protein Q)
N2043-5	Beesioside Q
BA7434-5	6PPD-Q
TBZ0155	Casearin Q
TBZ0208	Cumingianoside Q
TBW01098	Mulberrofuran Q
HY-N15349	Nocapyrone Q
4107156.05	Q-Peptide

CPPD-Q

Chemical Information

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