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Noncatechol agonist-1

CAT: 0013-GTR19258075-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258075-03Size:100 mg
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Description
Noncatechol agonist-1 (19) is a noncatechol agonist that demonstrates full efficacy in both the D1R-G protein pathway and the D1R-β-arrestin2 pathway, with a D1R-mediated cAMP production pEC50 value of 8.41 and a β-arrestin2 recruitment pEC50 value of 7.7.
CAS Number
1609580-99-5
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C1NC (=O) N (C (C=2C=CC (OC3=NC=CC=4OC=CC34) =CC2C) =C1C) C
Molecular Formula
C20H17N3O4
Molecular Weight
363.367
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(4-(Furo(3,2-c)pyridin-4-yloxy)-2-methylphenyl)-1,5-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CAS Number1609580-99-5
PubChem CID75202022
IUPAC Name6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione
Molecular FormulaC20H17N3O4
Molecular Weight363.4
XLogP2.8
Topological Polar Surface Area84.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity649
SMILES
CC1=C(C=CC(=C1)OC2=NC=CC3=C2C=CO3)C4=C(C(=O)NC(=O)N4C)C
InChI
InChI=1S/C20H17N3O4/c1-11-10-13(27-19-15-7-9-26-16(15)6-8-21-19)4-5-14(11)17-12(2)18(24)22-20(25)23(17)3/h4-10H,1-3H3,(H,22,24,25)
InChIKey
CKMFOKUQUOYIOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(4-(Furo(3,2-c)pyridin-4-yloxy)-2-methylphenyl)-1,5-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CAS: 1609580-99-5
CID: 75202022
Formula: C20H17N3O4
MW: 363.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass363.12190603
Monoisotopic Mass363.12190603
Topological Polar Surface Area84.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity649
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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