Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00175)
Name
Delafloxacin
Synonyms    Click to Show/Hide the Synonyms of This API
Delafloxacin; 189279-58-1; ABT-492; Baxdela; WQ-3034; 1-(6-AMINO-3,5-DIFLUOROPYRIDIN-2-YL)-8-CHLORO-6-FLUORO-7-(3-HYDROXYAZETIDIN-1-YL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID; Abt 492; ABT492; RX-3341; UNII-6315412YVF; 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid; 189279-58-1 (free acid; 6315412YVF; 3-Quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-; 1-(6-amino-3,5-difluoro-2-pyridyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-quinoline-3-carboxylic acid; Delafloxacin [USAN:INN]; Delafloxacinum; Quofenix; Delafloxacin (USAN); Abbott 492; DelafloxacinABT-492; C18H12ClF3N4O4; SCHEMBL294694; QCR-52; CHEMBL2105637; GTPL10799; Delafloxacin, >=98% (HPLC); DTXSID40172331; EX-A2331; ZINC3827556; CS-1478; DB11943; SB16746; WQ 3034; NCGC00390187-01; NCGC00390187-02; AC-30739; AK232294; AS-75147; HY-14814; AB0032510; Delafloxacin 100 microg/mL in Acetonitrile; FT-0697895; D09330; W-5433; RX-3341; WQ-3034; ABT492; Delafloxacin; ABT-492(Delafloxacin, RX-3341, WQ-3034); A-319492; Q5253067; 189279-58-1, 339591-82-1 (sodium salt); 1-(6-amino-3,5-difluoropyridine-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidine-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Clinical Status
Approved
Disease Indication Methicillin-resistant staphylococcus infection ICD-11: 1D01 [1]
PubChem CID
487101
Formula
C18H12ClF3N4O4
Canonical SMILES
C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O
InChI
1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30)
InChIKey
DYDCPNMLZGFQTM-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=487101"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 440.8 Topological Polar Surface Area 120
XlogP 2.7 Complexity 755
Heavy Atom Count 30 Rotatable Bond Count 3
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 11
Full List of Drug Formulations (DFMs) Containing This API
          Delafloxacin 450 mg tablet Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Anhydrous citric acid; Magnesium palmitostearate; Sodium bicarbonate; Water; Sodium phosphate, monobasic, unspecified form; Povidone k30; Crospovidone (12 mpa.s at 5%); Microcrystalline cellulose
                   Dosage Form Oral Tablet
                   Company Melinta Therapeutics
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Kyselina citronova DIG Info Perilipin-1 (IC50 = 3708 nM) [2]
          Delafloxacin Meglumine 300 mg For Injection Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Citric Acid Anhydrous; Crospovidone; Magnesium Stearate; Microcrystalline Cellulose; Povidone; Sodium Bicarbonate; Sodium Phosphate Monobasic Monohydrate
                   Dosage Form For Injection
                   Company Melinta Therapeutics
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Kyselina citronova DIG Info Perilipin-1 (IC50 = 3708 nM) [2]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
Crospovidone DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
          Delafloxacin Meglumine 450 mg tablet Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Edetate Disodium (Edta); Meglumine; Sulfobutylether--Cyclodextrin
                   Dosage Form Tablet
                   Company Melinta Therapeutics
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Meglumine DIG Info Alglucerase (IC50 = 447000 nM) [5]
References
1 FDA label for approved delafloxacin from the official website of the U.S. Food and Drug Administration.
2 PubChem BioAssay data set.
3 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
4 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.
5 Towards a stable noeuromycin analog with a D-manno configuration: synthesis and glycosidase inhibition of D-manno-like tri- and tetrahydroxylated azepanes. Bioorg Med Chem. 2012 Jan 15; 20(2):641-9.

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