KPI-10 | CAS#888032-58-4 | Antibacterial candidate

MedKoo Cat#: 464750 | Name: KPI-10

Description:

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

KPI-10, also known as WQ3810, is a new compound currently being studied for its efficacy in the treatment of infections caused by multidrug-resistant bacteria. WQ-3810 demonstrated high potent activity against the antimicrobial-resistant pathogens tested. WQ-3810 (MIC(90)=4 mg/L and 0.06 mg/L, respectively) was also more active than ciprofloxacin (64 mg/L and 2 mg/L) and levofloxacin (32 mg/L and 2 mg/L). Furthermore, WQ-3810 was the most potent among the fluoroquinolones tested against meticillin-resistant Staphylococcus aureus (MRSA) and Neisseria gonorrhoeae, including FQR isolates.

Chemical Structure

KPI-10

CAS#888032-58-4

Theoretical Analysis

MedKoo Cat#: 464750

Name: KPI-10

CAS#: 888032-58-4

Chemical Formula: C22H22F3N5O3

Exact Mass: 461.1675

Molecular Weight: 461.45

Elemental Analysis: C, 57.26; H, 4.81; F, 12.35; N, 15.18; O, 10.40

Price and Availability

Size	Price	Availability
1mg	USD 90.00	Ready to ship
5mg	USD 250.00	Ready to ship
10mg	USD 450.00	Ready to ship
25mg	USD 750.00	Ready to ship
50mg	USD 1,250.00	Ready to ship
100mg	USD 2,150.00	Ready to ship

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Related CAS #

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Synonym

KPI-10; KPI10; KPI 10; WQ3810; WQ-3810; WQ 3810;

IUPAC/Chemical Name

1-(6-Amino-3,5-difluoropyridin-2-yl)-6-fluoro-7-(3-(isopropylamino)azetidin-1-yl)-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

InChi Key

MJMVUQNNSOBCGF-UHFFFAOYSA-N

InChi Code

InChI=1S/C22H22F3N5O3/c1-9(2)27-11-6-29(7-11)18-10(3)17-12(4-14(18)23)19(31)13(22(32)33)8-30(17)21-16(25)5-15(24)20(26)28-21/h4-5,8-9,11,27H,6-7H2,1-3H3,(H2,26,28)(H,32,33)

SMILES Code

O=C(C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(C=C(F)C(N4CC(NC(C)C)C4)=C3C)C1=O)O

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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#YXM220430

QC Data

View QC data: current batch, Lot#YXM220430

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

WQ3810 is an orally active fluoroquinolone, with potent antibacterial activities.

In vitro activity:

In vitro antimycobacterial activity of WQ-3810 was evaluated against recombinant Mtb var. bovis Bacille Calmette-Guérin strains in which gyrase-coding genes were replaced with Mtb variants containing resistance-conferring mutations. WQ-3810 showed a higher inhibitory activity than levofloxacin against most recombinant DNA gyrases with FQ-resistance mutations. Furthermore, WQ-3810 showed inhibition even against a DNA gyrase variant harboring a G88C mutation which is thought to confer the highest resistance against FQs in clinical Mtb isolates. Since FQs and ethambutol have been used in multi-drug therapy for tuberculosis, WQ-3810 might represent a new, potent anti-tuberculosis drug that can be effective even against FQ-resistant Mtb strains. Reference: Tuberculosis (Edinb). 2020 Jan;120:101891. https://pubmed.ncbi.nlm.nih.gov/31778929/

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	To be determined	0.0	0.00

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 461.45 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. Kazamori D, Aoi H, Sugimoto K, Ueshima T, Amano H, Itoh K, Kuramoto Y, Yazaki A. In vitro activity of WQ-3810, a novel fluoroquinolone, against multidrug-resistant and fluoroquinolone-resistant pathogens. Int J Antimicrob Agents. 2014 Nov;44(5):443-9. doi: 10.1016/j.ijantimicag.2014.07.017. Epub 2014 Sep 1. PMID: 25239276. 2. Ouchi Y, Mukai T, Koide K, Yamaguchi T, Park JH, Kim H, Yokoyama K, Tamaru A, Gordon SV, Nakajima C, Suzuki Y. WQ-3810: A new fluoroquinolone with a high potential against fluoroquinolone-resistant Mycobacterium tuberculosis. Tuberculosis (Edinb). 2020 Jan;120:101891. doi: 10.1016/j.tube.2019.101891. Epub 2019 Nov 18. PMID: 31778929.

In vitro protocol:

In vivo protocol:

TBD

1: Park JH, Yamaguchi T, Ouchi Y, Koide K, Pachanon R, Chizimu JY, Mori S, Kim H, Mukai T, Nakajima C, Suzuki Y. Interaction of Quinolones Carrying New R1 Group with Mycobacterium leprae DNA Gyrase. Microb Drug Resist. 2021 Jun 1. doi: 10.1089/mdr.2020.0408. Epub ahead of print. PMID: 34077282. 2: Pachanon R, Koide K, Kongsoi S, Ajima N, Kapalamula TF, Nakajima C, Suthienkul O, Suzuki Y. Effectiveness of Fluoroquinolones with Difluoropyridine Derivatives as R1 Groups on the Salmonella DNA Gyrase in the Presence and Absence of Plasmid-Encoded Quinolone Resistance Protein QnrB19. Microb Drug Resist. 2021 Apr 9. doi: 10.1089/mdr.2020.0455. Epub ahead of print. PMID: 33835868. 3: Park JH, Yamaguchi T, Ouchi Y, Koide K, Mori S, Kim H, Mukai T, Nakajima C, Suzuki Y. WQ-3810 inhibits DNA gyrase activity in ofloxacin-resistant Mycobacterium leprae. J Infect Chemother. 2020 Apr;26(4):335-342. doi: 10.1016/j.jiac.2019.10.013. Epub 2019 Dec 12. PMID: 31839561. 4: Ouchi Y, Mukai T, Koide K, Yamaguchi T, Park JH, Kim H, Yokoyama K, Tamaru A, Gordon SV, Nakajima C, Suzuki Y. WQ-3810: A new fluoroquinolone with a high potential against fluoroquinolone-resistant Mycobacterium tuberculosis. Tuberculosis (Edinb). 2020 Jan;120:101891. doi: 10.1016/j.tube.2019.101891. Epub 2019 Nov 18. PMID: 31778929. 5: Koide K, Kongsoi S, Nakajima C, Suzuki Y. WQ-3810 exerts high inhibitory effect on quinolone-resistant DNA gyrase of Salmonella Typhimurium. Biosci Biotechnol Biochem. 2019 Dec;83(12):2249-2256. doi: 10.1080/09168451.2019.1650634. Epub 2019 Aug 5. PMID: 31382821. 6: Itoh K, Kuramoto Y, Amano H, Kazamori D, Yazaki A. Discovery of WQ-3810: Design, synthesis, and evaluation of 7-(3-alkylaminoazetidin-1-yl)fluoro- quinolones as orally active antibacterial agents. Eur J Med Chem. 2015 Oct 20;103:354-60. doi: 10.1016/j.ejmech.2015.08.015. Epub 2015 Aug 25. PMID: 26363871. 7: Kazamori D, Aoi H, Sugimoto K, Ueshima T, Amano H, Itoh K, Kuramoto Y, Yazaki A. In vitro activity of WQ-3810, a novel fluoroquinolone, against multidrug- resistant and fluoroquinolone-resistant pathogens. Int J Antimicrob Agents. 2014 Nov;44(5):443-9. doi: 10.1016/j.ijantimicag.2014.07.017. Epub 2014 Sep 1. PMID: 25239276.