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FIT-039 (Standard)

CAT: 0804-HY-18944R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18944R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FIT-039 (Standard) is the analytical standard of FIT-039. This product is intended for research and analytical applications. 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.
CAS Number
1113044-49-7
UNSPSC
12352100
Target
CDK; CMV; DNA/RNA Synthesis; HSV; Reference Standards
Related Pathways
Anti-infection; Cell Cycle/DNA Damage; Others
Field of Research
Infection
Smiles
FC1=CC(NC(C2=CC=NC=C2)=S)=C(N3CCCCC3)C=C1
Molecular Formula
C17H18FN3S
Molecular Weight
315.41
References & Citations
[1]Makoto Yamamoto, et al. CDK9 Inhibitor FIT-039 Prevents Replication of Multiple DNA Viruses. J Clin Invest. 2014 Aug;124 (8) :3479-88.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

N-(5-fluoro-2-piperidin-1-ylphenyl)pyridine-4-carbothioamide
CAS Number1113044-49-7
PubChem CID25186688
IUPAC NameN-(5-fluoro-2-piperidin-1-ylphenyl)pyridine-4-carbothioamide
Molecular FormulaC17H18FN3S
Molecular Weight315.4
XLogP3.4
Topological Polar Surface Area60.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity367
SMILES
C1CCN(CC1)C2=C(C=C(C=C2)F)NC(=S)C3=CC=NC=C3
InChI
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)
InChIKey
VRKZHYSJZOUICG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(5-fluoro-2-piperidin-1-ylphenyl)pyridine-4-carbothioamide
CAS: 1113044-49-7
CID: 25186688
Formula: C17H18FN3S
MW: 315.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass315.12054692
Monoisotopic Mass315.12054692
Topological Polar Surface Area60.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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