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Ralimetinib dimesylate

CAT: 0013-GTR19171796-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171796-01Size:1 mg
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Description
Ralimetinib dimesylate (LY2228820 dimesylate) is an orally bioavailable, tri-substituted imidazole inhibitor of p38 MAPK. It has demonstrated potential anti-inflammatory and anti-cancer activity in preclinical in vitro and in vivo models, supporting research in oncology and inflammatory disease.
CAS Number
862507-23-1
Product Name Alternative
Autophagy, Apoptosis, LY 2228820, LY 2228820 Dimesylate, LY-2228820, LY2228820 dimesylate, LY-2228820 Dimesylate, p38α, p38MAPK, p38 MAPK
Field of Research
Cell Biology, Signal Transduction
Purity
98.00% (May vary between batches)
Solubility
DMSO:27.5 mg/mL (44.88 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.26 mM)
Smiles
CS (O) (=O) =O.CS (O) (=O) =O.CC (C) (C) Cn1c (N) nc2ccc (nc12) -c1[nH]c (nc1-c1ccc (F) cc1) C (C) (C) C
Molecular Formula
C24H29FN6·2CH4O3S
Molecular Weight
612.74
Storage Conditions
-20°C
Notes
For research use only.

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
HY-13241-01Ralimetinib dimesylate
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A10545-10LY2228820 dimesylate (Ralimetinib dimesylate) 10mg
A10545-5LY2228820 dimesylate (Ralimetinib dimesylate) 5mg
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