1113044-49-7

1113044-49-7 structure

Name: FIT-039
Chemical Name: N-[5-Fluoro-2-(1-piperidinyl)phenyl]-4-pyridinecarbothioamide
CAS Number: 1113044-49-7
Molecular Formula: C₁₇H₁₈FN₃S
Molecular Weight: 315.408
Catalog: Signaling Pathways Anti-infection CMV
Create Date: 2018-06-17 14:31:01
Modify Date: 2025-09-18 22:47:58
FIT-039 is a selective, ATP-competitive and orally active CDK9 inhibitor with an IC50 of 5.8 μM for CKD9/cyclin T1. FIT-039 does not inhibit other CDKs and other kinases. FIT-039 inhibits replication of HSV-1 (IC50 of 0.69 μM), HSV-2, human adenovirus, and human CMV. FIT-039 is a promising antiviral agent for inhibiting drug-resistant HSVs and other DNA viruses.

Name	N-[5-Fluoro-2-(1-piperidinyl)phenyl]-4-pyridinecarbothioamide
Synonyms	4-Pyridinecarbothioamide, N-[5-fluoro-2-(1-piperidinyl)phenyl]- N-[5-Fluoro-2-(1-piperidinyl)phenyl]-4-pyridinecarbothioamide FIT-039

Description	FIT-039 is a selective, ATP-competitive and orally active CDK9 inhibitor with an IC50 of 5.8 μM for CKD9/cyclin T1. FIT-039 does not inhibit other CDKs and other kinases. FIT-039 inhibits replication of HSV-1 (IC50 of 0.69 μM), HSV-2, human adenovirus, and human CMV. FIT-039 is a promising antiviral agent for inhibiting drug-resistant HSVs and other DNA viruses.
Related Catalog	Signaling Pathways >> Anti-infection >> HSV Research Areas >> Infection Signaling Pathways >> Cell Cycle/DNA Damage >> DNA/RNA Synthesis Signaling Pathways >> Cell Cycle/DNA Damage >> CDK Signaling Pathways >> Anti-infection >> CMV
Target	CDK9/cyclinT1:5.8 μM (IC50) HSV-1:0.69 μM (IC50) HSV-2 CMV
In Vitro	FIT-039 (30 μM; 3 hours; HEK293 cells) treatment decreases phosphorylated CTD in the infected or noninfected cells to a level lower than that shown by Flavopiridol. FIT-039 reduces the expression levels of HSV-1 immediate-early genes (IEGs) and early and late genes[1]. FIT-039 inhibits replication of the HSV-1 genome in a dose-dependent manner (EC50 and EC80 are 0.69 μM and 4.0 μM, respectively)[1]. FIT-039 potently suppresses 8 kinases (GSK3β, PKN1, haspin, p70s6K, DYRK1B, GSK3α, IRR, and DYRK3) other than CDK9 on the 332-kinase panel. These kinases are involved in the replication of various viruses[1]. Western Blot Analysis[1] Cell Line: HEK293 cells Concentration: 30 μM Incubation Time: 3 hours Result: Decreased phosphorylated carboxyterminal domain (CTD) in the infected or noninfected cells to a level lower than that shown by Flavopiridol.
In Vivo	Treatment with the FIT-039 ointment twice a day suppresses skin lesions and rescues mice (male BALB/c mice injected with HSV-1) from lethality in a dose-dependent manner. The healing of lesions is observed with 5% to 10% FIT-039 ointment, leading to the complete regression of zosteriform spread on day 10, which is also observed with the 5% ACV ointment[1]. FIT-039 does not affect body weight gain in mice administrated with an overdose of this compound (1000 mg/kg/d) for 14 days, and no changes are observed in biological markers in their blood[1].
References	[1]. Makoto Yamamoto, et al. CDK9 Inhibitor FIT-039 Prevents Replication of Multiple DNA Viruses. J Clin Invest. 2014 Aug;124(8):3479-88.

Density	1.3±0.1 g/cm3
Boiling Point	460.4±55.0 °C at 760 mmHg
Molecular Formula	C₁₇H₁₈FN₃S
Molecular Weight	315.408
Flash Point	232.2±31.5 °C
Exact Mass	315.120544
LogP	3.05
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.662

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