ChemicalBook--->CAS DataBase List--->1113044-49-7

1113044-49-7

1113044-49-7 Structure

1113044-49-7 Structure
IdentificationBack Directory
[Name]

FIT-039
[CAS]

1113044-49-7
[Synonyms]

FIT-039
FIT-039 (FIT039)
N-[5-Fluoro-2-(1-piperidinyl)phenyl]-4-pyridinecarbothioamide
N-(5-fluoro-2-(piperidin-1-yl)phenyl)pyridine-4-carbothioamide
4-Pyridinecarbothioamide, N-[5-fluoro-2-(1-piperidinyl)phenyl]-
[Molecular Formula]

C17H18FN3S
[MDL Number]

MFCD29770796
[MOL File]

1113044-49-7.mol
[Molecular Weight]

315.41
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[solubility ]

DMSO:55.0(Max Conc. mg/mL);174.38(Max Conc. mM)
[form ]

A solid
[color ]

Light yellow to yellow
[InChIKey]

VRKZHYSJZOUICG-UHFFFAOYSA-N
[SMILES]

Fc1cc(c(cc1)N3CCCCC3)NC(=S)c2ccncc2
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

FIT-039 is a novel cyclin-dependent kinase 9 (CDK9) inhibitor, suppressing replication of a broad spectrum of DNA viruses through inhibition of mRNA transcription.
[Uses]

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.
[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].

[target]

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 inhibits replication of HSV-1 (IC50 of 0.69 μM), HSV-2, human adenovirus, and human CMV.
[IC 50]

CDK9/cyclinT1: 5.8 μM (IC50); HSV-1: 0.69 μM (IC50); HSV-2; CMV
[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. DOI:10.1172/JCI73805
Spectrum DetailBack Directory
[Spectrum Detail]

FIT-039(1113044-49-7)1HNMR
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