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MedKoo Cat#: 414803 | Name: PD-117596

Description:

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

PD-117596 is a quinolone that was under development with Parke-Davis (USA) as a potential treatment for bacterial infections.

Chemical Structure

PD-117596
PD-117596
CAS#99734-98-2

Theoretical Analysis

MedKoo Cat#: 414803

Name: PD-117596

CAS#: 99734-98-2

Chemical Formula: C17H17F2N3O3

Exact Mass: 349.1238

Molecular Weight: 349.34

Elemental Analysis: C, 58.45; H, 4.91; F, 10.88; N, 12.03; O, 13.74

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 #
No Data
Synonym
PD-117596; PD117596; PD 117596
IUPAC/Chemical Name
3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-
InChi Key
UHBXZNXCIZHGFF-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H17F2N3O3/c18-12-5-10-14(13(19)15(12)21-4-3-8(20)6-21)22(9-1-2-9)7-11(16(10)23)17(24)25/h5,7-9H,1-4,6,20H2,(H,24,25)
SMILES Code
NC1CCN(c2c(F)c3c(C(C(C(O)=O)=CN3C4CC4)=O)cc2F)C1
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

Preparing Stock Solutions

The following data is based on the product molecular weight 349.34 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: Cohen MA, Huband MD, Mailloux GB, Yoder SL, Roland GE, Heifetz CL. In vitro antibacterial activities of the fluoroquinolones PD 117596, PD 124816, and PD 127391. Diagn Microbiol Infect Dis. 1991 May-Jun;14(3):245-58. doi: 10.1016/0732-8893(91)90039-i. PMID: 1889177. 2: Gough A, Johnson R, Campbell E, Hall L, Tylor J, Carpenter A, Black W, Basrur PK, Baragi VM, Sigler R, Metz A. Quinolone arthropathy in immature rabbits treated with the fluoroquinolone, PD 117596. Exp Toxicol Pathol. 1996 Jun;48(4):225-32. doi: 10.1016/S0940-2993(96)80003-0. PMID: 8811288. 3: Robertson DG, Epling GA, Kiely JS, Bailey DL, Song B. Mechanistic studies of the phototoxic potential of PD 117596, a quinolone antibacterial compound. Toxicol Appl Pharmacol. 1991 Nov;111(2):221-32. doi: 10.1016/0041-008x(91)90026-b. PMID: 1659755. 4: Neu HC, Chin NX. In vitro activity of PD 117596-2, a broad-spectrum difluoroquinolone. Eur J Clin Microbiol Infect Dis. 1989 Jul;8(7):644-50. doi: 10.1007/BF01968149. PMID: 2506029. 5: García-Rodríguez JA, García Sánchez JE, Trujillano I, García Sánchez E, García García MI, Fresnadillo MJ. Susceptibilities of Brucella melitensis isolates to clinafloxacin and four other new fluoroquinolones. Antimicrob Agents Chemother. 1995 May;39(5):1194-5. doi: 10.1128/AAC.39.5.1194. PMID: 7625815; PMCID: PMC162710. 6: Piddock LJ, Hall MC, Walters RN. Phenotypic characterization of quinolone- resistant mutants of Enterobacteriaceae selected from wild type, gyrA type and multiply-resistant (marA) type strains. J Antimicrob Chemother. 1991 Aug;28(2):185-98. doi: 10.1093/jac/28.2.185. PMID: 1663926. 7: Johnson RJ, Black WD, Sigler RE, Baragi VM, Gough AW. Evaluation of toxicokinetic variables and arthropathic changes in juvenile rabbits after oral administration of an investigational fluoroquinolone, PD 117596. Am J Vet Res. 2000 Nov;61(11):1396-402. doi: 10.2460/ajvr.2000.61.1396. PMID: 11108186. 8: Khardori N, Shawar R, Gupta R, Rosenbaum B, Rolston K. In vitro antimicrobial susceptibilities of Nocardia species. Antimicrob Agents Chemother. 1993 Apr;37(4):882-4. doi: 10.1128/AAC.37.4.882. PMID: 8494385; PMCID: PMC187795. 9: Vartivarian S, Anaissie E, Bodey G, Sprigg H, Rolston K. A changing pattern of susceptibility of Xanthomonas maltophilia to antimicrobial agents: implications for therapy. Antimicrob Agents Chemother. 1994 Mar;38(3):624-7. doi: 10.1128/AAC.38.3.624. PMID: 8203865; PMCID: PMC284510. 10: Pattyn SR. Anti-Mycobacterium leprae activity of several quinolones studied in the mouse. Int J Lepr Other Mycobact Dis. 1991 Dec;59(4):613-7. PMID: 1666402.

View History

MC-1-F2

MC-1-F2

MS170

MS170

MS21

MS21