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Chemical structure of PCS1055

GC72925

PCS1055

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

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

ChemicalCAS357173-55-8MW412.57FormulaC27H32N4
CAS number
357173-55-8
Molecular weight
412.57
Formula
C27H32N4
Solubility
DMSO ： 100 mg/mL (242·38 mM; Need ultrasonic)
InChIKey
ATHZIFFSGSWIAU-UHFFFAOYSA-N
Catalogue number
GC72925
Brand
GLPBIO
Computed properties PubChem CID 10894911 · XLogP 5.3 · TPSA 41.1 Ų · H-bond donors 1
XLogP
5.3
TPSA
41.1 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31

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

Computed descriptors from PubChem (CID 10894911), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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