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A-437203

CAT: 0013-GTR19206577-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206577-05Size:25 mg
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Description
A-437203 (Lu201640) is a novel, potent, and selective dopamine D3 receptor antagonist based on a 1H-pyrimidin-2-one scaffold, exhibiting Ki values of 71 nM, 1.6 nM, and 6220 nM for D2, D3, and D4 receptors, respectively. This compound is a valuable pharmacological tool for in vitro and in vivo research into disorders involving dopaminergic signaling, such as addiction and Parkinson's disease.
CAS Number
220519-06-2
Product Name Alternative
Dopamine Receptor, DopamineReceptor, D2 receptor, D3 receptor, D4 receptor, ABT925, ABT-925, ABT 925, A 437203, A 37203, A37203, A-37203, A437203, A-437203, Lu201640
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.62% (May vary between batches)
Solubility
DMSO:60 mg/mL (131.43 mM)
Smiles
C (F) (F) (F) C1=CC (=NC (C (C) (C) C) =N1) N2CCN (CCCSC=3NC (=O) C=CN3) CC2
Molecular Formula
C20H27F3N6OS
Molecular Weight
456.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ABT-925 anhydrous free base

See also: Abt-925 (is active moiety of); abt-925 anhydrous (is active moiety of).

CAS Number220519-06-2
PubChem CID9916104
IUPAC Name2-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one
Molecular FormulaC20H27F3N6OS
Molecular Weight456.5
XLogP3.4
Topological Polar Surface Area99
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity685
SMILES
CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NC=CC(=O)N3)C(F)(F)F
InChI
InChI=1S/C20H27F3N6OS/c1-19(2,3)17-25-14(20(21,22)23)13-15(26-17)29-10-8-28(9-11-29)7-4-12-31-18-24-6-5-16(30)27-18/h5-6,13H,4,7-12H2,1-3H3,(H,24,27,30)
InChIKey
KXVAICSRMHXLJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ABT-925 anhydrous free base
CAS: 220519-06-2
CID: 9916104
Formula: C20H27F3N6OS
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass456.19191517
Monoisotopic Mass456.19191517
Topological Polar Surface Area99 Ų
Heavy Atom Count31
Formal Charge0
Complexity685
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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