DAU 5884 hydrochloride, M3 receptor antagonist

Key facts

CAS number

131780-47-7

Purity

>99%

Form

Solid

form

Molecular weight

351.8 Da

Molecular formula

C₁₇H₂₂ClN₃O₃

PubChem

16759154

Nature

Synthetic

Solubility

Soluble in water to 100 mM

Soluble in DMSO to 100 mM

Biochemical name

DAU 5884 hydrochloride

Biological description

Competitive, potent and selective M3 receptor antagonist (IC50 values are 8 - 131 nM against 0.3 nM [3H]NMS). Inhibits muscle contractility and shows antiproliferative effects. Centrally active. Active *in vivo.*

Canonical smiles

CN1C2CCC1CC(C2)OC(=O)N3CC4=CC=CC=C4NC3=O.Cl

Isomeric smiles

CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)N3CC4=CC=CC=C4NC3=O.Cl

InChi

InChI=1S/C17H21N3O3.ClH/c1-19-12-6-7-13(19)9-14(8-12)23-17(22)20-10-11-4-2-3-5-15(11)18-16(20)21;/h2-5,12-14H,6-10H2,1H3,(H,18,21);1H/t12-,13+,14?;

InChiKey

FDERDDSQHZRNGC-LIWIJTDLSA-N

IUPAC Name

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-1,4-dihydroquinazoline-3-carboxylate;hydrochloride