For research use only. Not for therapeutic Use.
Roniciclib (BAY 1000394)（Cat No.:I009180）is a potent, orally bioavailable pan-cyclin-dependent kinase (CDK) inhibitor that targets multiple CDKs, including CDK1, CDK2, CDK4, and CDK9. By inhibiting these kinases, Roniciclib disrupts cell cycle progression, particularly inducing G1/S and G2/M arrest, leading to apoptosis in cancer cells. Its broad inhibition of CDKs makes it a promising anticancer agent for treating various malignancies, including solid tumors and hematological cancers. Roniciclib is being explored for its ability to enhance the efficacy of other therapies and overcome resistance to traditional treatments.
| Catalog Number | I009180 |
| CAS Number | 1223498-69-8 |
| Synonyms | BAY1000394; BAY1000394; BAY 1000394; Roniciclib.;(2R,3R)-3-((2-((4-(cyclopropanesulfonimidoyl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)oxy)butan-2-ol |
| Molecular Formula | C18H21F3N4O3S |
| Purity | ≥95% |
| Target | CDK inhibitor |
| Solubility | Soluble in DMSO, not in water |
| Storage | 0 - 4 °C for short term, or -20 °C for long term |
| IUPAC Name | (2R,3R)-3-[2-[4-(cyclopropylsulfonimidoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]oxybutan-2-ol |
| InChI | InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1 |
| InChIKey | UELYDGOOJPRWGF-MFOHZAOFSA-N |
| SMILES | C[C@H]([C@@H](C)OC1=NC(=NC=C1C(F)(F)F)NC2=CC=C(C=C2)S(=N)(=O)C3CC3)O |
| Reference | </br>1: Lücking U. Sulfoximines: a neglected opportunity in medicinal chemistry. Angew Chem Int Ed Engl. 2013 Sep 2;52(36):9399-408. doi: 10.1002/anie.201302209. Epub 2013 Aug 9. Review. PubMed PMID: 23934828.</br> 2:Lücking U, Jautelat R, Krüger M, Brumby T, Lienau P, Schäfer M, Briem H, Schulze J, Hillisch A, Reichel A, Wengner AM, Siemeister G. The lab oddity prevails: discovery of pan-CDK inhibitor (R)-S-cyclopropyl-S-(4-{[4-{[(1R,2R)-2-hydroxy-1-methylpropyl]oxy}-5-(trifluorome thyl)pyrimidin-2-yl]amino}phenyl)sulfoximide (BAY 1000394) for the treatment of cancer. ChemMedChem. 2013 Jul;8(7):1067-85. doi: 10.1002/cmdc.201300096. Epub 2013 May 13. PubMed PMID: 23671017.</br>3:Siemeister G, Lücking U, Wengner AM, Lienau P, Steinke W, Schatz C, Mumberg D, Ziegelbauer K. BAY 1000394, a novel cyclin-dependent kinase inhibitor, with potent antitumor activity in mono- and in combination treatment upon oral application. Mol Cancer Ther. 2012 Oct;11(10):2265-73. doi: 10.1158/1535-7163.MCT-12-0286. Epub 2012 Jul 19. PubMed PMID: 22821149. |
