Products for Research Use Only

PF-3644022

CAT: 0013-GTR19174531-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174531-05Size:25 mg
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Description
PF-3644022 is a potent and selective ATP-competitive inhibitor of MAPKAPK2 (MK2) with an IC50 of 5.2 nM. It also inhibits MK3 and PRAK and suppresses TNFα production, demonstrating anti-inflammatory effects in cellular assays. This compound is a valuable research tool for studying p38 MAPK signaling in inflammation and related disease models.
CAS Number
1276121-88-0
Product Name Alternative
Anti-inflammatory, MAP kinase activated protein kinase 2, MAPK activated protein kinase 2, MAPKAP kinase 2, MAPKAPK2 (MK2), Inhibitor, efficacious, Mitogen-activated protein kinase activated protein kinase 2, MK2, MK3, orally, lipopolysaccharide, inhibit, IL-6, monocytic, TNFα, Serine Protease, SerineProtease, PF 3644022, PRAK, PF3644022, PF-3644022, p38MAPK, p38 MAPK, safety
Field of Research
Protein Biochemistry, Signal Transduction
Purity
98.13% (May vary between batches)
Solubility
DMSO:41.67 mg/mL (111.28 mM)
Smiles
C[C@@H]1CNc2c (sc3ccc4nc (ccc4c23) -c2ccc (C) nc2) C (=O) N1
Molecular Formula
C21H18N4OS
Molecular Weight
374.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PF-3644022
CAS Number1276121-88-0
PubChem CID44631903
IUPAC Name(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
Molecular FormulaC21H18N4OS
Molecular Weight374.5
XLogP4
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity574
SMILES
C[C@@H]1CNC2=C(C(=O)N1)SC3=C2C4=C(C=C3)N=C(C=C4)C5=CN=C(C=C5)C
InChI
InChI=1S/C21H18N4OS/c1-11-3-4-13(10-22-11)15-6-5-14-16(25-15)7-8-17-18(14)19-20(27-17)21(26)24-12(2)9-23-19/h3-8,10,12,23H,9H2,1-2H3,(H,24,26)/t12-/m1/s1
InChIKey
CMWRPDHVGMHLSZ-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of PF-3644022
CAS: 1276121-88-0
CID: 44631903
Formula: C21H18N4OS
MW: 374.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight374.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass374.12013238
Monoisotopic Mass374.12013238
Topological Polar Surface Area95.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity574
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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