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DPA-714 (Standard)

CAT: 0804-HY-122607RSize: 1 EachDry Ice: NoHazardous: No
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Description
DPA-714 (Standard) is the analytical standard of DPA-714. This product is intended for research and analytical applications. 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. 18FDPA-714 successfully evaluates for the specific imaging of inflammation in various models of neuroinflammation and in a brain tumor model[1][2].
CAS Number
958233-07-3
UNSPSC
12352100
Target
Mitochondrial Metabolism; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Cancer; Inflammation/Immunology
Smiles
O=C(N(CC)CC)CC1=C2N=C(C)C=C(C)N2N=C1C3=CC=C(OCCF)C=C3
Molecular Formula
C22H27FN4O2
Molecular Weight
398.47
References & Citations
[1]James ML, et al. DPA-714, a new translocator protein-specific ligand: synthesis, radiofluorination, and pharmacologic characterization. J Nucl Med. 2008 May;49 (5) :814-22.|[2]Harhausen D, et al. Specific imaging of inflammation with the 18 kDa translocator protein ligand DPA-714 in animal models of epilepsy and stroke. PLoS One. 2013 Aug 2;8 (8) :e69529.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

N,N-diethyl-2-(2-(4-(2-fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide

a translocator protein-specific ligand; structure in first source

CAS Number958233-07-3
PubChem CID24895172
IUPAC NameN,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
Molecular FormulaC22H27FN4O2
Molecular Weight398.5
XLogP3.2
Topological Polar Surface Area59.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity525
SMILES
CCN(CC)C(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)OCCF)C)C
InChI
InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3
InChIKey
FLZZFWBNYJNHMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-diethyl-2-(2-(4-(2-fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CAS: 958233-07-3
CID: 24895172
Formula: C22H27FN4O2
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass398.21180428
Monoisotopic Mass398.21180428
Topological Polar Surface Area59.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BUP04087-01DPA-714
A18585-100DPA-714 100mg
A18585-10DPA-714 10mg
A18585-50DPA-714 50mg
A18585-25DPA-714 25mg
A18585-5DPA-714 5mg
A18585-200DPA-714 200mg
A18585-1DPA-714 1mg
A18585-10mM-DDPA-714 10mM * 1mL in DMSO
#60037DPA

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