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MedKoo Cat#: 528416 | Name: DS-8587

Description:

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

DS-8587 is a DNA topoisomerase inhibitor potentially for the treatment of bacterial infection. DS-8587 significantly reduced the number of viable bacteria in a murine model of F. necrophorum-induced liver abscess. DS-8587 exhibits potent antibacterial activity against quinolone-resistant A. baumannii isolates that harbor mutations in quinolone resistance-determining regions. In the presence of the efflux pump inhibitor 1-(1-napthylmethyl)-piperazine, no significant changes were observed in the MIC for DS-8587.

Chemical Structure

DS-8587
DS-8587
CAS#1356918-39-2 (HCl hydrate)

Theoretical Analysis

MedKoo Cat#: 528416

Name: DS-8587

CAS#: 1356918-39-2 (HCl hydrate)

Chemical Formula: C21H27ClF3N3O5

Exact Mass:

Molecular Weight: 493.91

Elemental Analysis: C, 51.07; H, 5.51; Cl, 7.18; F, 11.54; N, 8.51; O, 16.20

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
1356918-39-2 (HCl hydrate) 1037366-13-4 (free base) 1037366-49-6 (mesylate) 1356918-38-1 (HCl) 1356918-44-9 (tosylate)
Synonym
DS-8587; DS8587; DS 8587; DS-8587 free
IUPAC/Chemical Name
7-((3aR,6aS)-3a-amino-6a-fluorohexahydrocyclopenta[c]pyrrol-2(1H)-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride dihydrate
InChi Key
WDCLSNJDBKODOF-JNEZQIAFSA-N
InChi Code
InChI=1S/C21H22F3N3O3.ClH.2H2O/c1-10-16-11(18(28)12(19(29)30)7-27(16)15-6-13(15)22)5-14(23)17(10)26-8-20(24)3-2-4-21(20,25)9-26;;;/h5,7,13,15H,2-4,6,8-9,25H2,1H3,(H,29,30);1H;2*1H2/t13-,15+,20-,21+;;;/m0.../s1
SMILES Code
O=C(C1=CN([C@H]2[C@@H](F)C2)C3=C(C=C(F)C(N4C[C@]5(F)[C@](CCC5)(N)C4)=C3C)C1=O)O.[H]Cl.[H]O[H].[H]O[H]
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

Preparing Stock Solutions

The following data is based on the product molecular weight 493.91 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.

Recalculate based on batch purity %
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
1: Nagaoka K, Yanagihara K, Morinaga Y, Kurosaka Y, Hoshino K, Kohno S. In vivo antianaerobe activity of DS-8587, a new fluoroquinolone, against Fusobacterium necrophorum in a mouse model. J Infect Chemother. 2017 Mar;23(3):131-135. doi: 10.1016/j.jiac.2016.09.007. PubMed PMID: 28109739. 2: Higuchi S, Shikata M, Chiba M, Hoshino K, Gotoh N. Characteristics of antibiotic resistance and sequence type of Acinetobacter baumannii clinical isolates in Japan and the antibacterial activity of DS-8587. J Infect Chemother. 2014 Apr;20(4):256-61. doi: 10.1016/j.jiac.2013.12.001. PubMed PMID: 24709045. 3: Higuchi S, Kurosaka Y, Uoyama S, Yoshida K, Chiba M, Ishii C, Fujikawa K, Karibe Y, Hoshino K. Anti-multidrug-resistant Acinetobacter baumannii activity of DS-8587: In vitro activity and in vivo efficacy in a murine calf muscle infection model. J Infect Chemother. 2014 May;20(5):312-6. doi: 10.1016/j.jiac.2014.01.011. PubMed PMID: 24594453. 4: Higuchi S, Onodera Y, Chiba M, Hoshino K, Gotoh N. Potent in vitro antibacterial activity of DS-8587, a novel broad-spectrum quinolone, against Acinetobacter baumannii. Antimicrob Agents Chemother. 2013 Apr;57(4):1978-81. doi: 10.1128/AAC.02374-12. PubMed PMID: 23380726; PubMed Central PMCID: PMC3623304.