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Chemical structure of ARC 239

GC68683

ARC 239

Also known as 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethylisoquinoline-1,3-dione

ARC 239 is an α2B/C-adrenergic receptor antagonist, with pKi values of 7·06 and 6·95 for rat kidney α2B and human kidney α2C, respectively· ARC 239 also inhibits the 5-HT1A receptor with a Ki value of 63·1 nM

ChemicalCAS67339-62-2MW407.51FormulaC24H29N3O3
CAS number
67339-62-2
Molecular weight
407.51
Formula
C24H29N3O3
Solubility
DMSO ： 50 mg/mL (122·70 mM; Need ultrasonic)
InChIKey
JFNKXGOEOQCXDM-UHFFFAOYSA-N
Catalogue number
GC68683
Brand
GLPBIO
Computed properties PubChem CID 609483 · XLogP 3.4 · TPSA 53.1 Ų · H-bond donors 0
XLogP
3.4
TPSA
53.1 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30

SMILES CC1(C2=CC=CC=C2C(=O)N(C1=O)CCN3CCN(CC3)C4=CC=CC=C4OC)C

Computed descriptors from PubChem (CID 609483), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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