form
crystalline
potency
86 nM Ki for A1 receptors
color
off-white to light yellow
mp
>300 °C (lit.)
solubility
aqueous base: moderately soluble (Solutions should be stored at 4 °C.), ethanol: moderately soluble (Solutions should be stored at 4 °C.), H2O: slightly soluble
SMILES string
CN1C(=O)N(C)c2nc([nH]c2C1=O)-c3ccccc3
InChI
1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
InChI key
PJFMAVHETLRJHJ-UHFFFAOYSA-N
Gene Information
human ... ADORA1(134), ADORA2B(136), ADORA3(140)
rat ... Adora1(29290), Adora2a(25369), Adora2b(29316)
Biochem/physiol Actions
Selective A1 adenosine receptor antagonist.
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)