FIT-039

FIT-039 is an inhibitor of cyclin-dependent kinase 9 (Cdk9, IC50 = 5.8 µM for Cdk9/cyclin T1). It is selective for Cdk9/cyclin T1 over Cdk4/cyclin D3 at 30 µM and Cdk2/cyclin A2, Cdk2/cyclin E1, Cdk5/p25, Cdk6/cyclin D3, and Cdk7/cyclin/MAT1 at 10 µM but also inhibits GSK3alpha, GSK3beta, PKN1, haspin, p70S6K, DYRK1B, DYRK3, and IRR at 10 µM. FIT-039 inhibits DNA replication of herpes simplex virus 1 (HSV-1) in HeLa cells (IC50 = 0.69 µM). Topical application of FIT-039 (1.25-10% w/w) reduces skin lesions and improves survival in HSV-1-infected mice. FIT-039 (300 mg/kg) also reduces tumor growth in a human papillomavirus (HPV) type 16-positive Ca Ski cervical cancer mouse xenograft model.Formal Name: N-[5-fluoro-2-(1-piperidinyl)phenyl]-4-pyridinecarbothioamide. CAS Number: 1113044-49-7. Molecular Formula: C17H18FN3S. Formula Weight: 315.4. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMSO: 10 mM. SMILES: FC1=CC=C(N2CCCCC2)C(NC(C3=CC=NC=C3)=S)=C1. InChi Code: InChI=1S/C17H18FN3S/c18-14-4-5-16(21-10-2-1-3-11-21)15(12-14)20-17(22)13-6-8-19-9-7-13/h4-9,12H,1-3,10-11H2,(H,20,22). InChi Key: VRKZHYSJZOUICG-UHFFFAOYSA-N.