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MedKoo Cat#: 205990 | Name: Radotinib
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Radotinib, also known as IY-5511, is a second-generation tyrosine kinase inhibitor of Bcr-Abl fusion protein and the platelet-derived growth factor receptor (PDGFR), with potential antineoplastic activity. Upon administration, radotinib specifically inhibits the Bcr-Abl fusion protein, an abnormal enzyme expressed in Philadelphia chromosome-positive chronic myeloid leukemia (CML) cells. In addition, Radotinib also inhibits PDGFR thereby blocking PDGFR-mediated signal transduction pathways.

Chemical Structure

Radotinib
Radotinib
CAS#926037-48-1 (free base)

Theoretical Analysis

MedKoo Cat#: 205990

Name: Radotinib

CAS#: 926037-48-1 (free base)

Chemical Formula: C27H21F3N8O

Exact Mass: 530.1790

Molecular Weight: 530.50

Elemental Analysis: C, 61.13; H, 3.99; F, 10.74; N, 21.12; O, 3.02

Price and Availability

Size Price Availability Quantity
25mg USD 150.00 Ready to ship
50mg USD 250.00 Ready to ship
100mg USD 450.00 Ready to ship
200mg USD 650.00 Ready to ship
500mg USD 1,050.00 Ready to ship
1g USD 1,450.00 Ready to ship
2g USD 2,150.00 Ready to ship
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Related CAS #
926037-85-6 (2HCl) 926037-48-1 (free base)
Synonym
IY5511; IY-5511; IY 5511; IY5511 HCl; Radotinib; trade name Supect.
IUPAC/Chemical Name
4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyrazin-2-yl)pyrimidin-2-yl)amino)benzamide
InChi Key
DUPWHXBITIZIKZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H21F3N8O/c1-16-3-4-18(9-23(16)37-26-33-6-5-22(36-26)24-13-31-7-8-32-24)25(39)35-20-10-19(27(28,29)30)11-21(12-20)38-14-17(2)34-15-38/h3-15H,1-2H3,(H,35,39)(H,33,36,37)
SMILES Code
O=C(NC1=CC(C(F)(F)F)=CC(N2C=C(C)N=C2)=C1)C3=CC=C(C)C(NC4=NC=CC(C5=NC=CN=C5)=N4)=C3
Appearance
white 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
More Info
Biological target:
Radotinib (IY-5511) is a BCR-ABL1 tyrosine kinase inhibitor with IC50 of 34 nM.
In vitro activity:
Radotinib significantly decreased the expression of cyclin-dependent kinase 1 and cyclin B1, the key regulators of G2/M phase, and inhibited the expression of Aurora kinase A and Aurora kinase B in acute myeloid leukemia cells. In addition, radotinib decreased the expression and binding between p-Aurora kinase A and TPX2, which are required for spindle assembly. Furthermore, it reduced Aurora kinase A and polo-like kinase 1 phosphorylation and suppressed the expression of α-, β-, and γ-tubulin in acute myeloid leukemia cells. Reference: Tumour Biol. 2019 May;41(5):1010428319848612. https://journals.sagepub.com/doi/10.1177/1010428319848612?url_ver=Z39.88-2003&rfr_id=ori:rid:crossref.org&rfr_dat=cr_pub%20%200pubmed
In vivo activity:
The neuroprotective efficacy of Radotinib HCl, a brain penetrant c-Abl inhibitor, was evaluated in a pre-clinical model of Parkinson’s disease (PD). Administration of Radotinib HCl inhibited c-Abl activation and prevented dopaminergic neuron loss, neuroinflammation and behavioral deficits following α-synuclein PFF (preformed fibrils)-induced toxicity in vivo. Reference: Hum Mol Genet. 2018 Jul 1;27(13):2344-2356. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6005030/
Solvent mg/mL mM
Solubility
DMSO 10.0 18.90
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 530.50 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
Formulation protocol:
1. Heo SK, Noh EK, Jeong YK, Ju LJ, Sung JY, Yu HM, Cheon J, Koh S, Min YJ, Choi Y, Jo JC. Radotinib inhibits mitosis entry in acute myeloid leukemia cells via suppression of Aurora kinase A expression. Tumour Biol. 2019 May;41(5):1010428319848612. doi: 10.1177/1010428319848612. PMID: 31074363. 2. Lee S, Kim S, Park YJ, Yun SP, Kwon SH, Kim D, Kim DY, Shin JS, Cho DJ, Lee GY, Ju HS, Yun HJ, Park JH, Kim WR, Jung EA, Lee S, Ko HS. The c-Abl inhibitor, Radotinib HCl, is neuroprotective in a preclinical Parkinson's disease mouse model. Hum Mol Genet. 2018 Jul 1;27(13):2344-2356. doi: 10.1093/hmg/ddy143. PMID: 29897434; PMCID: PMC6005030.
In vitro protocol:
1. Heo SK, Noh EK, Jeong YK, Ju LJ, Sung JY, Yu HM, Cheon J, Koh S, Min YJ, Choi Y, Jo JC. Radotinib inhibits mitosis entry in acute myeloid leukemia cells via suppression of Aurora kinase A expression. Tumour Biol. 2019 May;41(5):1010428319848612. doi: 10.1177/1010428319848612. PMID: 31074363. 2. Lee S, Kim S, Park YJ, Yun SP, Kwon SH, Kim D, Kim DY, Shin JS, Cho DJ, Lee GY, Ju HS, Yun HJ, Park JH, Kim WR, Jung EA, Lee S, Ko HS. The c-Abl inhibitor, Radotinib HCl, is neuroprotective in a preclinical Parkinson's disease mouse model. Hum Mol Genet. 2018 Jul 1;27(13):2344-2356. doi: 10.1093/hmg/ddy143. PMID: 29897434; PMCID: PMC6005030.
In vivo protocol:
1. Heo SK, Noh EK, Jeong YK, Ju LJ, Sung JY, Yu HM, Cheon J, Koh S, Min YJ, Choi Y, Jo JC. Radotinib inhibits mitosis entry in acute myeloid leukemia cells via suppression of Aurora kinase A expression. Tumour Biol. 2019 May;41(5):1010428319848612. doi: 10.1177/1010428319848612. PMID: 31074363. 2. Lee S, Kim S, Park YJ, Yun SP, Kwon SH, Kim D, Kim DY, Shin JS, Cho DJ, Lee GY, Ju HS, Yun HJ, Park JH, Kim WR, Jung EA, Lee S, Ko HS. The c-Abl inhibitor, Radotinib HCl, is neuroprotective in a preclinical Parkinson's disease mouse model. Hum Mol Genet. 2018 Jul 1;27(13):2344-2356. doi: 10.1093/hmg/ddy143. PMID: 29897434; PMCID: PMC6005030.
1: Xu J, Abdulsalam Khaleel R, Zaidan HK, Faisal Mutee A, Fahmi Fawy K, Gehlot A, Abbas AH, Arias Gonzáles JL, Amin AH, Ruiz-Balvin MC, Imannezhad S, Bahrami A, Akhavan-Sigari R. Discovery of common molecular signatures and drug repurposing for COVID-19/Asthma comorbidity: ACE2 and multi-partite networks. Cell Cycle. 2024 Feb;23(4):405-434. doi: 10.1080/15384101.2024.2340859. Epub 2024 Apr 19. PMID: 38640424. 2: Almoyad MAA, Alsayari A, Wahab S, Chandra S. Hematopoietic cell kinase as a nexus for drug repurposing: implications for cancer and HIV therapy. J Biomol Struct Dyn. 2024 Mar 26:1-11. doi: 10.1080/07391102.2024.2331092. Epub ahead of print. PMID: 38529911. 3: Wang Y, Travers RJ, Farrell A, Lu Q, Bays JL, Stepanian A, Chen C, Jaffe IZ. Differential vascular endothelial cell toxicity of established and novel BCR-ABL tyrosine kinase inhibitors. PLoS One. 2023 Nov 20;18(11):e0294438. doi: 10.1371/journal.pone.0294438. PMID: 37983208; PMCID: PMC10659179. 4: Cha SH, Kim K, Song YK. Comparison of cutaneous adverse events between second-generation tyrosine kinase inhibitors and imatinib for chronic myeloid leukemia: a systematic review and meta-analysis. Acta Oncol. 2023 Dec;62(12):1767-1774. doi: 10.1080/0284186X.2023.2263152. Epub 2023 Nov 25. PMID: 37787749. 5: He X, Fang J, Gong M, Zhang J, Xie R, Zhao D, Gu Y, Ma L, Pang X, Cui Y. Identification of immune-associated signatures and potential therapeutic targets for pulmonary arterial hypertension. J Cell Mol Med. 2023 Dec;27(23):3864-3877. doi: 10.1111/jcmm.17962. Epub 2023 Sep 27. PMID: 37753829; PMCID: PMC10718157. 6: Choi YG, Jang B, Park JH, Choi MW, Lee GY, Cho DJ, Kim HY, Lim HK, Lee WJ, Choi EK, Kim YS. Radotinib Decreases Prion Propagation and Prolongs Survival Times in Models of Prion Disease. Int J Mol Sci. 2023 Jul 31;24(15):12241. doi: 10.3390/ijms241512241. PMID: 37569615; PMCID: PMC10419185. 7: Medina-Barandica J, Contreras-Puentes N, Tarón-Dunoyer A, Durán-Lengua M, Alviz-Amador A. In-silico study for the identification of potential destabilizers between the spike protein of SARS-CoV-2 and human ACE-2. Inform Med Unlocked. 2023;40:101278. doi: 10.1016/j.imu.2023.101278. Epub 2023 Jun 5. PMID: 37305192; PMCID: PMC10241490. 8: Mozzicafreddo M, Benfaremo D, Paolini C, Agarbati S, Svegliati Baroni S, Moroncini G. Screening and Analysis of Possible Drugs Binding to PDGFRα: A Molecular Modeling Study. Int J Mol Sci. 2023 Jun 1;24(11):9623. doi: 10.3390/ijms24119623. PMID: 37298573; PMCID: PMC10253372. 9: Baek S, Kwon SH, Jeon JY, Lee GY, Ju HS, Yun HJ, Cho DJ, Lee KP, Nam MH. Radotinib attenuates TGFβ -mediated pulmonary fibrosis in vitro and in vivo: exploring the potential of drug repurposing. BMC Pharmacol Toxicol. 2022 Dec 15;23(1):93. doi: 10.1186/s40360-022-00634-x. PMID: 36522756; PMCID: PMC9753032. 10: Heo SK, Noh EK, Seo HJ, Lee YJ, Koh S, Min YJ, Choi Y, Jo JC. Radotinib inhibits multiple myeloma cell proliferation via suppression of STAT3 signaling. PLoS One. 2022 May 3;17(5):e0265958. doi: 10.1371/journal.pone.0265958. PMID: 35503759; PMCID: PMC9064077. 11: Ahmed FF, Reza MS, Sarker MS, Islam MS, Mosharaf MP, Hasan S, Mollah MNH. Identification of host transcriptome-guided repurposable drugs for SARS-CoV-1 infections and their validation with SARS-CoV-2 infections by using the integrated bioinformatics approaches. PLoS One. 2022 Apr 7;17(4):e0266124. doi: 10.1371/journal.pone.0266124. PMID: 35390032; PMCID: PMC8989220. 12: Mosharaf MP, Reza MS, Kibria MK, Ahmed FF, Kabir MH, Hasan S, Mollah MNH. Computational identification of host genomic biomarkers highlighting their functions, pathways and regulators that influence SARS-CoV-2 infections and drug repurposing. Sci Rep. 2022 Mar 11;12(1):4279. doi: 10.1038/s41598-022-08073-8. PMID: 35277538; PMCID: PMC8915158. 13: Heo SK, Noh EK, Kim JY, Jeong YK, Jo JC, Choi Y, Koh S, Baek JH, Min YJ, Kim H. Author Correction: Targeting c-KIT (CD117) by dasatinib and radotinib promotes acute myeloid leukemia cell death. Sci Rep. 2021 Nov 26;11(1):23281. doi: 10.1038/s41598-021-02577-5. Erratum for: Sci Rep. 2017 Nov 10;7(1):15278. doi: 10.1038/s41598-017-15492-5. PMID: 34837004; PMCID: PMC8626483. 14: Xu XL, Cao YJ, Zhang W, Rao GW. Research Status, Synthesis and Clinical Application of Recently Marketed and Clinical BCR-ABL Inhibitors. Curr Med Chem. 2022;29(17):3050-3078. doi: 10.2174/0929867328666211012093423. PMID: 34636293. 15: Heo SK, Noh EK, Kim JY, Yu HM, Sung JY, Ju LJ, Kim DK, Seo HJ, Lee YJ, Cheon J, Koh S, Min YJ, Choi Y, Jo JC. The c-Abl inhibitor, radotinib induces apoptosis in multiple myeloma cells via mitochondrial-dependent pathway. Sci Rep. 2021 Jun 24;11(1):13198. doi: 10.1038/s41598-021-92651-9. PMID: 34168229; PMCID: PMC8225673. 16: Novak J, Rimac H, Kandagalla S, Pathak P, Naumovich V, Grishina M, Potemkin V. Proposition of a new allosteric binding site for potential SARS-CoV-2 3CL protease inhibitors by utilizing molecular dynamics simulations and ensemble docking. J Biomol Struct Dyn. 2022;40(19):9347-9360. doi: 10.1080/07391102.2021.1927845. Epub 2021 May 21. PMID: 34018907; PMCID: PMC8146203. 17: Heo SK, Noh EK, Yu HM, Kim DK, Seo HJ, Lee YJ, Cheon J, Koh SJ, Min YJ, Choi Y, Jo JC. Radotinib enhances cytarabine (Ara-C)-induced acute myeloid leukemia cell death. BMC Cancer. 2020 Dec 4;20(1):1193. doi: 10.1186/s12885-020-07701-8. PMID: 33276759; PMCID: PMC7718665. 18: Lee J, Jung SY, Choi MY, Park JS, Park SK, Lim SA, Cho KH, Oh SY, Ha J, Kim DW, Lee J. Development of a dried blood spot sampling method towards therapeutic monitoring of radotinib in the treatment of chronic myeloid leukaemia. J Clin Pharm Ther. 2020 Oct;45(5):1006-1013. doi: 10.1111/jcpt.13124. Epub 2020 Feb 5. PMID: 32022312. 19: Do YR, Kwak JY, Kim JA, Kim HJ, Chung JS, Shin HJ, Kim SH, Bunworasate U, Choi CW, Zang DY, Oh SJ, Jootar S, Reksodiputro AH, Lee WS, Mun YC, Kong JH, Caguioa PB, Kim H, Park J, Kim DW. Long-term data from a phase 3 study of radotinib versus imatinib in patients with newly diagnosed, chronic myeloid leukaemia in the chronic phase (RERISE). Br J Haematol. 2020 Apr;189(2):303-312. doi: 10.1111/bjh.16381. Epub 2020 Feb 3. PMID: 32012231; PMCID: PMC7187446. 20: Pushpam D, Bakhshi S. Pharmacology of tyrosine kinase inhibitors in chronic myeloid leukemia; a clinician's perspective. Daru. 2020 Jun;28(1):371-385. doi: 10.1007/s40199-019-00321-z. Epub 2020 Jan 3. PMID: 31900888; PMCID: PMC7214547.