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LY2228820 dimesylate

CAT: 1410-M16242-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M16242-01Size:5 mg
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Description
LY2228820 dimesylate (Ralimetinib) is a potent, selective, orally available inhibitor p38 MAPK with IC50 of 5.3 and 3.2 nM for p38α and p38β, respectively.
CAS Number
862507-23-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
612.737
Molecular Formula
C26H37FN6O6S2
Notes
Research use only, not for human use.
Receptor
P38α

Chemical Information

Ralimetinib Mesylate

Ralimetinib Mesylate is the dimesylate salt form of LY2228820, a tri-substituted imidazole derivative and orally available, p38 mitogen-activated protein kinase (MAPK) inhibitor with potential anti-inflammatory and antineoplastic activities. Upon administration, ralimetinib inhibits the activity of p38, particularly the alpha and beta isoforms, thereby inhibiting MAPKAPK2 phosphorylation and preventing p38 MAPK-mediated signaling. This may inhibit the production of a variety of cytokines involved in inflammation, cellular proliferation and angiogenesis such as tumor necrosis factor alpha (TNFa), interleukin (IL)-1, -6 and -8, vascular endothelial growth factor, and macrophage inflammatory protein-1 alpha. Ultimately this induces apoptosis and reduces tumor cell proliferation. In addition, inhibition of the p38 MAPK pathway by LY2228820 increases the antineoplastic activity of certain chemotherapeutic agents. p38 MAPK, a serine/threonine protein kinase that is often upregulated in cancer cells, plays a crucial role in tumor cell proliferation, angiogenesis and metastasis.

CAS Number862507-23-1
PubChem CID11570805
IUPAC Name5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
Molecular FormulaC26H37FN6O6S2
Molecular Weight612.7
Topological Polar Surface Area211
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count41
Formal Charge0
Complexity701
SMILES
CC(C)(C)CN1C2=C(C=CC(=N2)C3=C(N=C(N3)C(C)(C)C)C4=CC=C(C=C4)F)N=C1N.CS(=O)(=O)O.CS(=O)(=O)O
InChI
InChI=1S/C24H29FN6.2CH4O3S/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6;2*1-5(2,3)4/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30);2*1H3,(H,2,3,4)
InChIKey
NARMJPIBAXVUIE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ralimetinib Mesylate
CAS: 862507-23-1
CID: 11570805
Formula: C26H37FN6O6S2
MW: 612.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight612.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass612.22000343
Monoisotopic Mass612.22000343
Topological Polar Surface Area211 Ų
Heavy Atom Count41
Formal Charge0
Complexity701
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3606239-01LY2228820 dimesylate
C16351Ralimetinib (LY2228820) dimesylate
A10545-100LY2228820 dimesylate (Ralimetinib dimesylate) 100mg
A10545-50LY2228820 dimesylate (Ralimetinib dimesylate) 50mg
A10545-25LY2228820 dimesylate (Ralimetinib dimesylate) 25mg
A10545-1LY2228820 dimesylate (Ralimetinib dimesylate) 1mg
A10545-10LY2228820 dimesylate (Ralimetinib dimesylate) 10mg
A10545-5LY2228820 dimesylate (Ralimetinib dimesylate) 5mg
A10545-10mM-DLY2228820 dimesylate (Ralimetinib dimesylate) 10mM * 1mL in DMSO
BISN0222-01LY2228820

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