JAK2-IN-6

• CAT Number: I044655
• CAS Number: 353512-04-6
• Molecular Formula: C14H10ClN3OS2
• Molecular Weight: 335.83
• Purity: ≥95%
• Synonyms: (4-amino-2-anilino-1,3-thiazol-5-yl)-(5-chlorothiophen-2-yl)methanone
• InChI: InChI=1S/C14H10ClN3OS2/c15-10-7-6-9(20-10)11(19)12-13(16)18-14(21-12)17-8-4-2-1-3-5-8/h1-7H,16H2,(H,17,18)
• InChIKey: OFSYMZBCAABWIK-UHFFFAOYSA-N
• SMILES: C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(S3)Cl)N

JAK2-IN-6, a multiple-substituted aminothiazole derivative, is a potent and selective JAK2 inhibitor with an IC50 of 22.86 μg/mL. JAK2-IN-6 shows no activity against JAK1 and JAK3. JAK2-IN-6 has anti-proliferative effect against cancer cells[1].
JAK2-IN-6 (Compound B2; 6.3-50 μg/mL; 48 hours; PC-9, H1975 and PANC-1 cells) treatment exhibits significantly antiproliferative activity against all of these cancer cell lines, with IC50 values of 18.1 μg/mL, 58.3 μg/mL, 40.6 μg/mL against PC-9, H1975 and PANC-1, respectively[1].
JAK2-IN-6 (Compound B2), an intramolecular hydrogen bond is formed, holding the chlorothiophene substituent coplanar with the aminothiazole core. The chlorothiophene moiety is found to be located in the binding pocket adjacent to Val863 and Leu983, and extends towards the Asp994 of activation loop and the Gly993 of glycine-rich loop[1].

Reference

[1]. Ting-Ting Yao, et al. Integration of pharmacophore mapping and molecular docking in sequential virtual screening: towards the discovery of novel JAK2 inhibitors. RSC Adv., 2017, 7, 10353-10360.