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Chemical structure of Dopamine D2 receptor antagonist-1

GC39647

Dopamine D2 receptor antagonist-1

Also known as N-cyclobutyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Dopamine D2 receptor antagonist-1 is a negative allosteric modulator (NAM) of the dopamine D2 receptor (D2R) with sub-mM affinity

ChemicalCAS1055411-77-2MW259.37FormulaC14H17N3S
CAS number
1055411-77-2
Molecular weight
259.37
Formula
C14H17N3S
Solubility
DMSO： 250 mg/mL (963·87 mM)
InChIKey
ANUJDLRACOBTTB-UHFFFAOYSA-N
Catalogue number
GC39647
Brand
GLPBIO
Computed properties PubChem CID 145712390 · XLogP 4 · TPSA 66.1 Ų · H-bond donors 1
XLogP
4
TPSA
66.1 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18

SMILES C1CCC2=C(C1)C3=C(N=CN=C3S2)NC4CCC4

Computed descriptors from PubChem (CID 145712390), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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