WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 584380
CAS#: 124668-12-8
Description: E 4441 is a third-generation difluoroquinolone and shows satisfactory levels of activity, both in vitro and in vivo, its activity against G(+) aerobic bacteria and anaerobic bacteria.
MedKoo Cat#: 584380
Name: E 4441
CAS#: 124668-12-8
Chemical Formula: C17H17F2N3O3
Exact Mass: 349.1238
Molecular Weight: 349.3378
Elemental Analysis: C, 58.45; H, 4.91; F, 10.88; N, 12.03; O, 13.74
This product is not in stock, which may be available by custom synthesis.
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Synonym: E 4441; E-4441; E4441
IUPAC/Chemical Name: 3-Quinolinecarboxylic acid, 7-(3-amino-3-methyl-1-azetidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-
InChi Key: FEMZVDSBIXDODB-UHFFFAOYSA-N
InChi Code: InChI=1S/C17H17F2N3O3/c1-17(20)6-21(7-17)14-11(18)4-9-13(12(14)19)22(8-2-3-8)5-10(15(9)23)16(24)25/h4-5,8H,2-3,6-7,20H2,1H3,(H,24,25)
SMILES Code: O=C(C1=CN(C2CC2)C3=C(C=C(F)C(N4CC(C)(N)C4)=C3F)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: 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
The following data is based on the product molecular weight 349.3378 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 |
1: Martinez L, Basi N, Dordal A, Roser R, Sagarra R. A pharmacokinetic study of E-4441, a new quinolone, in the rat, mouse and cynomolgus monkey. Eur J Drug Metab Pharmacokinet. 1991;Spec No 3:352-6. PubMed PMID: 1668199.
2: Esteve M, Moros M, Coll R, Xicota MA, Llovera S. Antimicrobial activity of E-4441, a representative azetidine quinolone. Drugs Exp Clin Res. 1990;16(9):445-9. PubMed PMID: 2100245.
3: Gargallo-Viola D, Esteve M, Moros M, Coll R, Xicota MA, de Andres C, Roser R, Guinea J. Comparative in vitro and in vivo activities of six new monofluoroquinolone and difluoroquinolone 3-carboxylic acids with a 7-azetidin ring substituent. Antimicrob Agents Chemother. 1990 Dec;34(12):2318-26. PubMed PMID: 2088187; PubMed Central PMCID: PMC172054.
