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Chemical structure of PCS1055 dihydrochloride

GC75022

PCS1055 dihydrochloride

Also known as N-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;dihydrochloride

PCS1055 dihydrochloride is a potent, selective and competitive muscarinic M4 receptor antagonist with an IC50 of 18·1 nM and a Kd of 5·72 nM

ChemicalCAS361979-40-0MW485.49FormulaC27H34Cl2N4
CAS number
361979-40-0
Molecular weight
485.49
Formula
C27H34Cl2N4
Solubility
DMSO： 100 mg/mL (205·98 mM; Need ultrasonic)
InChIKey
VSCSFYDNGYAWKG-UHFFFAOYSA-N
Catalogue number
GC75022
Brand
GLPBIO
Computed properties PubChem CID 132470896 · TPSA 41.1 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
41.1 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33

SMILES C1CC2=CC=CC=C2C3=NN=C(C=C3C1)NCCC4CCN(CC4)CC5=CC=CC=C5.Cl.Cl

Computed descriptors from PubChem (CID 132470896), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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