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PS-166276

CAT: 0013-GTR19239786-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239786-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PS-166276 is a highly potent and selective p38 MAPK inhibitor, demonstrating an IC50 of 28 nM against the kinase and 170 nM in a cellular THP-1 TNFα assay. This compound is a valuable research tool for investigating p38-mediated pathways in inflammation, oncology, and cellular stress responses in both in vitro and in vivo models.
CAS Number
348089-57-6
Field of Research
Signal Transduction
Smiles
N (C=1N=C (N[C@@H]2CCNC2) N=C (N (CC (C) C) C) N1) C3=CC (C (N) =O) =CC=C3C
Molecular Formula
C20H30N8O
Molecular Weight
398.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

VD2Dmr29U5
CAS Number348089-57-6
PubChem CID11203042
IUPAC Name4-methyl-3-[[4-[methyl(2-methylpropyl)amino]-6-[[(3R)-pyrrolidin-3-yl]amino]-1,3,5-triazin-2-yl]amino]benzamide
Molecular FormulaC20H30N8O
Molecular Weight398.5
XLogP3
Topological Polar Surface Area121
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity533
SMILES
CC1=C(C=C(C=C1)C(=O)N)NC2=NC(=NC(=N2)N(C)CC(C)C)N[C@@H]3CCNC3
InChI
InChI=1S/C20H30N8O/c1-12(2)11-28(4)20-26-18(23-15-7-8-22-10-15)25-19(27-20)24-16-9-14(17(21)29)6-5-13(16)3/h5-6,9,12,15,22H,7-8,10-11H2,1-4H3,(H2,21,29)(H2,23,24,25,26,27)/t15-/m1/s1
InChIKey
GLZVGITYALULNP-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of VD2Dmr29U5
CAS: 348089-57-6
CID: 11203042
Formula: C20H30N8O
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass398.25425761
Monoisotopic Mass398.25425761
Topological Polar Surface Area121 Ų
Heavy Atom Count29
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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