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PD169316

CAT: 0127-BISN0170-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BISN0170-02Size:5 mg
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CAS Number
152121-53-4
Smiles
[O-][N+](=O)c1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4
Additionnal Information
Keep Cold
Storage Conditions
Store at 2-8°C
Notes
MAPK/ERK Signalling Pathway

Chemical Information

PD-169316

PD169316 is a member of the class of imidazoles that is 1H-imidazole in which the hydrogens at positions 2, 4, and 5 are replaced by 4-nitrophenyl, 4-fluorophenyl, and pyridin-4-yl groups, respectively. It is a potent inhibitor of p38 MAP kinase (IC50 = 89 nM). It has a role as an antiviral agent and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of imidazoles, a member of pyridines, a C-nitro compound and a member of monofluorobenzenes.

CAS Number152121-53-4
PubChem CID4712
IUPAC Name4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine
Molecular FormulaC20H13FN4O2
Molecular Weight360.3
XLogP3.9
Topological Polar Surface Area87.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity495
SMILES
C1=CC(=CC=C1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]
InChI
InChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)
InChIKey
BGIYKDUASORTBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PD-169316
CAS: 152121-53-4
CID: 4712
Formula: C20H13FN4O2
MW: 360.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.3
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass360.10225383
Monoisotopic Mass360.10225383
Topological Polar Surface Area87.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity495
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

Alternative Products

CatalogName
SD5946-5mgPD169316 (p38 MAPK inhibitor)

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