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Merck
CN

SML1848

PCS1055 dihydrochloride

≥98% (HPLC)

Synonym(s):

6,7-Dihydro-N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-5H-benzo[6,7]cyclohepta[1,2-c]pyridazin-3-amine dihydrochloride

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About This Item

Empirical Formula (Hill Notation):
C27H32N4 · 2HCl
CAS Number:
361979-40-0
Molecular Weight:
485.49
UNSPSC Code:
12352200
NACRES:
NA.77

Key Documents

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InChI

1S/C27H32N4.2ClH/c1-2-7-22(8-3-1)20-31-17-14-21(15-18-31)13-16-28-26-19-24-11-6-10-23-9-4-5-12-25(23)27(24)30-29-26;;/h1-5,7-9,12,19,21H,6,10-11,13-18,20H2,(H,28,29);2*1H

InChI key

VSCSFYDNGYAWKG-UHFFFAOYSA-N

SMILES string

[H]Cl.[H]Cl.C12=C(N=NC(NCCC3CCN(CC4=CC=CC=C4)CC3)=C2)C5=C(C=CC=C5)CCC1

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

H2O: 5 mg/mL, clear (warmed)

storage temp.

2-8°C

Quality Level

100

Related Categories

Biochem/physiol Actions

PCS1055 is a potent and selective muscarinic M4 acetylcholine receptor competitive antagonist that exhibits >100-fold selectivity over M1-, M3-, and M5-receptors and 30-fold selectivity at the M2 receptor. PCS1055 was originally described as a potent electric eel AChE inhibitor (IC50 = 22 nM) and less potent at human AChE (IC50 = 120 nM).
Potent and selective muscarinic M4 receptor antagonist

hcodes

H413

Hazard Classifications

Aquatic Chronic 4

Storage Class

11 - Combustible Solids

wgk

WGK 3

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Certificates of Analysis (COA)

Lot/Batch Number
0000412870
0000153732
0000153729
0000153729
0000153732

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J M Contreras et al.
Journal of medicinal chemistry, 44(17), 2707-2718 (2001-08-10)
Starting from the 3-[2-(1-benzylpiperidin-4-yl)ethylamino]-6-phenylpyridazine 1, we performed the design, the synthesis, and the structure-activity relationships of a series of pyridazine analogues acting as AChE inhibitors. Structural modifications were achieved on four different parts of compound 1 and led to the
Carrie H Croy et al.
European journal of pharmacology, 782, 70-76 (2016-04-18)
Identification of synthetic ligands selective for muscarinic receptor subtypes has been challenging due to the high sequence identity and structural homology among the five muscarinic acetylcholine receptors. Here, we report the pharmacological characterization of PCS1055, a novel muscarinic M4 receptor

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