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Trequinsin

CAT: 0931-T202948-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T202948-02Size:50 mg
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CAS Number
79855-88-2
Bioactivity
Trequinsin HCl is a phosphodiesterase (PDE) 3 inhibitor dependent on cyclic adenosine monophosphate (cAMP) . It facilitates the accumulation of cAMP and enhances cell membrane capacitance.
Smiles
O=C1N(C(=NC=2C(=CC(=CC2C)C)C)C=C3C=4C=C(OC)C(OC)=CC4CCN13)C
Molecular Formula
C24H27N3O3
Molecular Weight
405.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Trequinsin

9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is a pyridopyrimidine.

CAS Number79855-88-2
PubChem CID5537
IUPAC Name9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular FormulaC24H27N3O3
Molecular Weight405.5
XLogP3.9
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity708
SMILES
CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2C)OC)OC)C
InChI
InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3
InChIKey
MCMSJVMUSBZUCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trequinsin
CAS: 79855-88-2
CID: 5537
Formula: C24H27N3O3
MW: 405.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass405.20524173
Monoisotopic Mass405.20524173
Topological Polar Surface Area54.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity708
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

Alternative Products

CatalogName
GTR19241578-01Trequinsin
B7022-5Trequinsin hydrochloride
HY-18740A-01Trequinsin (hydrochloride)
217846Trequinsin, Hydrochloride (9,10-Dimethoxy-2-mesitylimino-3-methyl-2,3,6,7-tetrahydro-4H-pyrimido- (6,1-a) -isoquinolin-4-one, HCl, HL 725)

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