[CAS NO. 1113044-49-7] FIT-039
PRODUCTS SPECIFICATIONS [1113044-49-7]
DESCRIPTION [1113044-49-7]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 315.41 |
| Molecular Formula | C17H18FN3S |
| SMILES | FC1=CC(NC(C2=CC=NC=C2)=S)=C(N3CCCCC3)C=C1 |
Summary
FIT-039 is a selective, ATP-competitive and orally active CDK9 inhibitor with an IC 50 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 ( IC 50 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 .
IC50 & Target
|
CDK9/cyclinT1 5.8 μM (IC 50 ) |
HSV-1 0.69 μM (IC 50 ) |
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 (EC
50
and EC
80
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]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
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]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : 100 mg/mL ( 317.05 mM ; Need ultrasonic)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 3.1705 mL | 15.8524 mL | 31.7048 mL |
| 5 mM | 0.6341 mL | 3.1705 mL | 6.3410 mL |
| 10 mM | 0.3170 mL | 1.5852 mL | 3.1705 mL |