PSB 11 hydrochloride, competitive human A3 receptor antagonist

Key facts

Purity

>99%

Form

Solid

form

Molecular weight

331.8 Da

Molecular formula

C₁₆H₁₈ClN₅O

PubChem

16759152

Nature

Synthetic

Solubility

Soluble in DMSO to 25 mM

Biochemical name

CID 16759152

Biological description

Potent, selective, competitive human A3 receptor antagonist (Ki values are 2.3 nM and 10 μM for human and rat A3 receptors, respectively), Antagonises human A1 and A2A receptors. Shows inverse agonist effects in the [35S]GTPγS binding assay. Shows anti-inflammatory effects.

Canonical smiles

CCC1CN2C(=N1)C3=C(N=C(N3)C4=CC=CC=C4)N(C2=O)C.Cl

Isomeric smiles

CC[C@@H]1CN2C(=N1)C3=C(N=C(N3)C4=CC=CC=C4)N(C2=O)C.Cl

InChi

InChI=1S/C16H17N5O.ClH/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10;/h4-8,11H,3,9H2,1-2H3,(H,18,19);1H/t11-;/m1./s1

InChiKey

JAUSHKIWPLHBCN-RFVHGSKJSA-N

IUPAC Name

(8R)-8-ethyl-4-methyl-2-phenyl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one;hydrochloride