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P38α inhibitor 8

CAT: 0804-HY-171300Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-171300Size:1 Each
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Description
P38α inhibitor 8 (Compound 1) exhibits inhibitory activity against p38α MAPK and CK1δ with IC50 of 0.21 µM and 0.202 µM[1]>.
CAS Number
1572047-63-2
UNSPSC
12352005
Target
Casein Kinase; p38 MAPK
Related Pathways
Cell Cycle/DNA Damage; MAPK/ERK Pathway; Stem Cell/Wnt
Field of Research
Inflammation/Immunology
Smiles
FC1=CC=C(C2=C(C3=CC=NC=C3)N(C)C(C4=CN=NN4)=N2)C=C1
Molecular Formula
C17H13FN6
Molecular Weight
320.32
References & Citations
[1]Seerden JP, et al., Synthesis and structure-activity relationships of 4-fluorophenyl-imidazole p38α MAPK, CK1δ and JAK2 kinase inhibitors. Bioorg Med Chem Lett. 2014 Aug 1;24 (15) :3412-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CK1; p38α

Chemical Information

p38|A inhibitor 8
CAS Number1572047-63-2
PubChem CID76325315
IUPAC Name4-[5-(4-fluorophenyl)-3-methyl-2-(2H-triazol-4-yl)imidazol-4-yl]pyridine
Molecular FormulaC17H13FN6
Molecular Weight320.32
XLogP1.7
Topological Polar Surface Area72.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity410
SMILES
CN1C(=C(N=C1C2=NNN=C2)C3=CC=C(C=C3)F)C4=CC=NC=C4
InChI
InChI=1S/C17H13FN6/c1-24-16(12-6-8-19-9-7-12)15(11-2-4-13(18)5-3-11)21-17(24)14-10-20-23-22-14/h2-10H,1H3,(H,20,22,23)
InChIKey
JGMBDYVHJQPCAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p38|A inhibitor 8
CAS: 1572047-63-2
CID: 76325315
Formula: C17H13FN6
MW: 320.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.32
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass320.11857260
Monoisotopic Mass320.11857260
Topological Polar Surface Area72.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity410
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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