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Chemical structure of BMY 14802

GC68786

BMY 14802

Also known as 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol

BMY 14802 is an antagonist of the sigma-1 receptor (σ1R) and an agonist of the serotonin 1A receptor (5-HT 1A Receptor) and alpha-1 adrenergic receptor (α-1 adrenergic receptor)· In a rat model of Parkinson's disease (PD), BMY 14802 can inhibit abnormal involuntary movements (AIM) and downregulate AIM expression

ChemicalCAS105565-56-8MW348.39FormulaC18H22F2N4O
CAS number
105565-56-8
Molecular weight
348.39
Formula
C18H22F2N4O
Solubility
DMSO ： 50 mg/mL (143·52 mM; ultrasonic and warming and heat to 60°C)
InChIKey
ZXUYYZPJUGQHLQ-UHFFFAOYSA-N
Catalogue number
GC68786
Brand
GLPBIO
Computed properties PubChem CID 108046 · XLogP 2.2 · TPSA 52.5 Ų · H-bond donors 1
XLogP
2.2
TPSA
52.5 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
25

SMILES C1CN(CCN1CCCC(C2=CC=C(C=C2)F)O)C3=NC=C(C=N3)F

Computed descriptors from PubChem (CID 108046), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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