Ralimetinib ( LY2228820)

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MedKoo CAT#: 205854

CAS#: 862505-00-8 (free base)

Description: Ralimetinib, also known as LY2228820, is a potent and selective, ATP-competitive inhibitor of the α- and β-isoforms of p38 MAPK in vitro (IC(50) = 5.3 and 3.2 nmol/L, respectively). In cell-based assays, LY2228820 potently and selectively inhibited phosphorylation of MK2 (Thr334) in anisomycin-stimulated HeLa cells (at 9.8 nmol/L by Western blot analysis) and anisomycin-induced mouse RAW264.7 macrophages (IC(50) = 35.3 nmol/L) with no changes in phosphorylation of p38α MAPK, JNK, ERK1/2, c-Jun, ATF2, or c-Myc ≤ 10 μmol/L.

Chemical Structure

Ralimetinib ( LY2228820)
CAS# 862505-00-8 (free base)

Theoretical Analysis

MedKoo Cat#: 205854
Name: Ralimetinib ( LY2228820)
CAS#: 862505-00-8 (free base)
Chemical Formula: C24H29FN6
Exact Mass: 420.24377
Molecular Weight: 420.52566
Elemental Analysis: C, 68.55; H, 6.95; F, 4.52; N, 19.98

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Related CAS #: 862507-23-1 (mesylate)   862505-00-8 (free base)    

Synonym: LY2228820; LY2228820; LY 2228820; Ralimetinib.

IUPAC/Chemical Name: 5-(2-(tert-butyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl)-3-neopentyl-3H-imidazo[4,5-b]pyridin-2-amine


InChi Code: InChI=1S/C24H29FN6/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/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30)

SMILES Code: NC1=NC2=CC=C(C3=C(C4=CC=C(F)C=C4)NC(C(C)(C)C)=N3)N=C2N1CC(C)(C)C

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 420.52566 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Correction: A First-in-Human Phase I Study of the Oral p38 MAPK Inhibitor, Ralimetinib (LY2228820 Dimesylate), in Patients with Advanced Cancer. Clin Cancer Res. 2016 May 15;22(10):2596. doi: 10.1158/1078-0432.CCR-16-0645. PubMed PMID: 27179115.

2: Browne AJ, Göbel A, Thiele S, Hofbauer LC, Rauner M, Rachner TD. p38 MAPK regulates the Wnt inhibitor Dickkopf-1 in osteotropic prostate cancer cells. Cell Death Dis. 2016 Feb 25;7:e2119. doi: 10.1038/cddis.2016.32. PubMed PMID: 26913608; PubMed Central PMCID: PMC4849158.

3: Patnaik A, Haluska P, Tolcher AW, Erlichman C, Papadopoulos KP, Lensing JL, Beeram M, Molina JR, Rasco DW, Arcos RR, Kelly CS, Wijayawardana SR, Zhang X, Stancato LF, Bell R, Shi P, Kulanthaivel P, Pitou C, Mulle LB, Farrington DL, Chan EM, Goetz MP. A First-in-Human Phase I Study of the Oral p38 MAPK Inhibitor, Ralimetinib (LY2228820 Dimesylate), in Patients with Advanced Cancer. Clin Cancer Res. 2016 Mar 1;22(5):1095-102. doi: 10.1158/1078-0432.CCR-15-1718. Epub 2015 Nov 18. PubMed PMID: 26581242.

4: Rachner TD, Göbel A, Browne A, Hötzel J, Rauner M, Hofbauer LC. P38 regulates the Wnt inhibitor Dickkopf-1 in breast cancer. Biochem Biophys Res Commun. 2015 Oct 30;466(4):728-32. doi: 10.1016/j.bbrc.2015.09.101. Epub 2015 Sep 25. PubMed PMID: 26407843.

5: Coutant DE, Kulanthaivel P, Turner PK, Bell RL, Baldwin J, Wijayawardana SR, Pitou C, Hall SD. Understanding Disease-Drug Interactions in Cancer Patients: Implications for Dosing Within the Therapeutic Window. Clin Pharmacol Ther. 2015 Jul;98(1):76-86. doi: 10.1002/cpt.128. Epub 2015 May 19. Review. PubMed PMID: 25808023.

6: Campbell RM, Anderson BD, Brooks NA, Brooks HB, Chan EM, De Dios A, Gilmour R, Graff JR, Jambrina E, Mader M, McCann D, Na S, Parsons SH, Pratt SE, Shih C, Stancato LF, Starling JJ, Tate C, Velasco JA, Wang Y, Ye XS. Characterization of LY2228820 dimesylate, a potent and selective inhibitor of p38 MAPK with antitumor activity. Mol Cancer Ther. 2014 Feb;13(2):364-74. doi: 10.1158/1535-7163.MCT-13-0513. Epub 2013 Dec 19. PubMed PMID: 24356814.

7: Tate CM, Blosser W, Wyss L, Evans G, Xue Q, Pan Y, Stancato L. LY2228820 dimesylate, a selective inhibitor of p38 mitogen-activated protein kinase, reduces angiogenic endothelial cord formation in vitro and in vivo. J Biol Chem. 2013 Mar 1;288(9):6743-53. doi: 10.1074/jbc.M112.425553. Epub 2013 Jan 18. PubMed PMID: 23335506; PubMed Central PMCID: PMC3585111.

8: Zhao R, Raub TJ, Sawada GA, Kasper SC, Bacon JA, Bridges AS, Pollack GM. Breast cancer resistance protein interacts with various compounds in vitro, but plays a minor role in substrate efflux at the blood-brain barrier. Drug Metab Dispos. 2009 Jun;37(6):1251-8. doi: 10.1124/dmd.108.025064. Epub 2009 Mar 9. PubMed PMID: 19273529; PubMed Central PMCID: PMC2683690.

9: Ishitsuka K, Hideshima T, Neri P, Vallet S, Shiraishi N, Okawa Y, Shen Z, Raje N, Kiziltepe T, Ocio EM, Chauhan D, Tassone P, Munshi N, Campbell RM, Dios AD, Shih C, Starling JJ, Tamura K, Anderson KC. p38 mitogen-activated protein kinase inhibitor LY2228820 enhances bortezomib-induced cytotoxicity and inhibits osteoclastogenesis in multiple myeloma; therapeutic implications. Br J Haematol. 2008 May;141(5):598-606. doi: 10.1111/j.1365-2141.2008.07044.x. Epub 2008 Apr 7. PubMed PMID: 18397345.

Additional Information

Related CAS#
CAS#862507-23-1 (Ralimetinib mesylate)
CAS#862505-00-8 (Ralimetinib free base)