FIT-039 | CAS#1113044-49-7 | CDK9 inhibitor

MedKoo Cat#: 463986 | Name: FIT-039

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

FIT-039

CAS#1113044-49-7

Theoretical Analysis

MedKoo Cat#: 463986

Name: FIT-039

CAS#: 1113044-49-7

Chemical Formula: C17H18FN3S

Exact Mass: 315.1205

Molecular Weight: 315.41

Elemental Analysis: C, 64.74; H, 5.75; F, 6.02; N, 13.32; S, 10.16

Price and Availability

Size	Price	Availability
5mg	USD 90.00	Ready to ship
10mg	USD 150.00	Ready to ship
25mg	USD 250.00	Ready to ship
50mg	USD 450.00	Ready to ship
100mg	USD 750.00	Ready to ship
200mg	USD 1,350.00	Ready to ship

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Related CAS #

No Data

Synonym

FIT-039; FIT039; FIT 039; KP-1115; KP1115; KP 1115;

IUPAC/Chemical Name

N-(5-fluoro-2-(piperidin-1-yl)phenyl)pyridine-4-carbothioamide

InChi Key

VRKZHYSJZOUICG-UHFFFAOYSA-N

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)

SMILES Code

S=C(C1=CC=NC=C1)NC2=CC(F)=CC=C2N3CCCCC3

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot#C22R03B09

QC Data

View QC data: current batch, Lot#C22R03B09

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological 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.

In vitro activity:

FIT-039 inhibited HIV-1 p24 antigen production in OM-10.1 cells in a dose-dependent fashion (Fig. 2A). The compound achieved more than 95% inhibition of p24 antigen production at a concentration of 20 μM. In addition, similar inhibition by FIT-039 was observed in phorbol 12-myristate 13-acetate (PMA)-stimulated OM-10.1 cells (Supplemental Fig. S1). Reference: Antiviral Res. 2015 Nov;123:1-4. https://pubmed.ncbi.nlm.nih.gov/26304705/

In vivo activity:

Treatment with the FIT-039 ointment twice a day suppressed skin lesions (Figure 3A) and rescued mice from lethality (Figure 3B) in a dose-dependent manner. The healing of lesions was observed with 5% to 10% FIT-039 ointment, leading to the complete regression of zosteriform spread on day 10, which was also observed with the 5% ACV ointment. Furthermore, no skin irritation was observed with the FIT-039 treatment in mice (Figure 3A) or rabbits during a preclinical irritation test (Supplemental Figure 5). These results confirmed the CDK9 inhibitor FIT-039 as a potential candidate for a novel therapeutic drug to treat HSV-1 infections. Reference: J Clin Invest. 2014 Aug;124(8):3479-88. https://pubmed.ncbi.nlm.nih.gov/25003190/

	Solvent	mg/mL	mM
Solubility
	DMSO	55.0	174.38

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 315.41 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Ajiro M, Sakai H, Onogi H, Yamamoto M, Sumi E, Sawada T, Nomura T, Kabashima K, Hosoya T, Hagiwara M. CDK9 Inhibitor FIT-039 Suppresses Viral Oncogenes E6 and E7 and Has a Therapeutic Effect on HPV-Induced Neoplasia. Clin Cancer Res. 2018 Sep 15;24(18):4518-4528. doi: 10.1158/1078-0432.CCR-17-3119. Epub 2018 Apr 30. PMID: 29712686. 2. Okamoto M, Hidaka A, Toyama M, Hosoya T, Yamamoto M, Hagiwara M, Baba M. Selective inhibition of HIV-1 replication by the CDK9 inhibitor FIT-039. Antiviral Res. 2015 Nov;123:1-4. doi: 10.1016/j.antiviral.2015.08.012. Epub 2015 Aug 21. PMID: 26304705. 3. Ajiro M, Sakai H, Onogi H, Yamamoto M, Sumi E, Sawada T, Nomura T, Kabashima K, Hosoya T, Hagiwara M. CDK9 Inhibitor FIT-039 Suppresses Viral Oncogenes E6 and E7 and Has a Therapeutic Effect on HPV-Induced Neoplasia. Clin Cancer Res. 2018 Sep 15;24(18):4518-4528. doi: 10.1158/1078-0432.CCR-17-3119. Epub 2018 Apr 30. PMID: 29712686. 4. Yamamoto M, Onogi H, Kii I, Yoshida S, Iida K, Sakai H, Abe M, Tsubota T, Ito N, Hosoya T, Hagiwara M. CDK9 inhibitor FIT-039 prevents replication of multiple DNA viruses. J Clin Invest. 2014 Aug;124(8):3479-88. doi: 10.1172/JCI73805. Epub 2014 Jul 8. PMID: 25003190; PMCID: PMC4109542.

In vitro protocol:

In vivo protocol:

1: Khumkhrong P, Piboonprai K, Chaichompoo W, Pimtong W, Khongkow M, Namdee K, Jantimaporn A, Japrung D, Asawapirom U, Suksamrarn A, Iempridee T. Crinamine Induces Apoptosis and Inhibits Proliferation, Migration, and Angiogenesis in Cervical Cancer SiHa Cells. Biomolecules. 2019 Sep 16;9(9):494. doi: 10.3390/biom9090494. PMID: 31527550; PMCID: PMC6770758. 2: Nomura T, Sumi E, Egawa G, Nakajima S, Toichi E, Uozumi R, Tada H, Nakagawa T, Hagiwara M, Kabashima K. The efficacy of a cyclin dependent kinase 9 (CDK9) inhibitor, FIT039, on verruca vulgaris: study protocol for a randomized controlled trial. Trials. 2019 Aug 9;20(1):489. doi: 10.1186/s13063-019-3570-6. PMID: 31399147; PMCID: PMC6688352. 3: Sumi E, Nomura T, Asada R, Uozumi R, Tada H, Amino Y, Sawada T, Yonezawa A, Hagiwara M, Kabashima K. Safety and Plasma Concentrations of a Cyclin-dependent Kinase 9 (CDK9) Inhibitor, FIT039, Administered by a Single Adhesive Skin Patch Applied on Normal Skin and Cutaneous Warts. Clin Drug Investig. 2019 Jan;39(1):55-61. doi: 10.1007/s40261-018-0712-7. PMID: 30284700; PMCID: PMC6510824. 4: Ajiro M, Sakai H, Onogi H, Yamamoto M, Sumi E, Sawada T, Nomura T, Kabashima K, Hosoya T, Hagiwara M. CDK9 Inhibitor FIT-039 Suppresses Viral Oncogenes E6 and E7 and Has a Therapeutic Effect on HPV-Induced Neoplasia. Clin Cancer Res. 2018 Sep 15;24(18):4518-4528. doi: 10.1158/1078-0432.CCR-17-3119. Epub 2018 Apr 30. PMID: 29712686. 5: Tanaka T, Okuyama-Dobashi K, Murakami S, Chen W, Okamoto T, Ueda K, Hosoya T, Matsuura Y, Ryo A, Tanaka Y, Hagiwara M, Moriishi K. Inhibitory effect of CDK9 inhibitor FIT-039 on hepatitis B virus propagation. Antiviral Res. 2016 Sep;133:156-64. doi: 10.1016/j.antiviral.2016.08.008. Epub 2016 Aug 8. PMID: 27515132. 6: Okamoto M, Hidaka A, Toyama M, Hosoya T, Yamamoto M, Hagiwara M, Baba M. Selective inhibition of HIV-1 replication by the CDK9 inhibitor FIT-039. Antiviral Res. 2015 Nov;123:1-4. doi: 10.1016/j.antiviral.2015.08.012. Epub 2015 Aug 21. PMID: 26304705. 7: Yamamoto M, Onogi H, Kii I, Yoshida S, Iida K, Sakai H, Abe M, Tsubota T, Ito N, Hosoya T, Hagiwara M. CDK9 inhibitor FIT-039 prevents replication of multiple DNA viruses. J Clin Invest. 2014 Aug;124(8):3479-88. doi: 10.1172/JCI73805. Epub 2014 Jul 8. PMID: 25003190; PMCID: PMC4109542.