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Chemical structure of DPA-714

GC38384

DPA-714

Also known as N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide

DPA-714 is a high affinity translocator protein (TSPO) ligand (Ki=7 nM), which is designed with a fluorine atom in its structure, allowing labelling with fluorine -18 and in vivo imaging using positron emission tomography

ChemicalCAS958233-07-3MW398.47FormulaC22H27FN4O2
CAS number
958233-07-3
Molecular weight
398.47
Formula
C22H27FN4O2
Solubility
DMSO： 41·67 mg/mL (104·57 mM)
InChIKey
FLZZFWBNYJNHMY-UHFFFAOYSA-N
Catalogue number
GC38384
Brand
GLPBIO
Computed properties PubChem CID 24895172 · XLogP 3.2 · TPSA 59.7 Ų · H-bond donors 0
XLogP
3.2
TPSA
59.7 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
29

SMILES CCN(CC)C(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)OCCF)C)C

Computed descriptors from PubChem (CID 24895172), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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