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472670

Sigma-Aldrich

9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid

97%

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About This Item

Empirical Formula (Hill Notation):
C13H9F2NO4
CAS Number:
82419-35-0
Molecular Weight:
281.21
MDL number:
MFCD00226106
UNSPSC Code:
12352100
PubChem Substance ID:
24870817
NACRES:
NA.22

Quality Level

100

assay

97%

mp

320-322 °C (lit.)

functional group

carboxylic acid
fluoro
ketone

SMILES string

CC1COc2c(F)c(F)cc3C(=O)C(=CN1c23)C(O)=O

InChI

1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)

InChI key

NVKWWNNJFKZNJO-UHFFFAOYSA-N

Gene Information

human ... CSNK2A1(1457)

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General description

(S)-(-)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid may be used in the preparation of the following:
  • kynurenine aminotransferase II (KAT II) inhibitor, [(S)-(-)-9-(4-aminopiperazine-1-yl)-8-fluoro-3-methyl-6-oxo-2,3,5,6-tetrahydro-4H-1-oxa-3a-aza-phenalene-5-carboxylic acid]
  • fused-ring derivatives
  • N-desmethyllevofloxacin

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
13709DR
05813DO

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7-Piperazinylquinolones with methylene-bridged nitrofuran scaffold as new antibacterial agents.
Emami S, et al.
Medicinal Chemistry Research, 22(12), 5940-5947 (2013)
On the relationship between the two branches of the kynurenine pathway in the rat brain in vivo.
Amori L, et al.
Journal of Neurochemistry, 109(2), 316-325 (2009)
Muhammad Malik et al.
Antimicrobial agents and chemotherapy, 54(12), 5214-5221 (2010-09-22)
Quinolones rapidly kill bacteria by two mechanisms, one that requires protein synthesis and one that does not. The latter, which is measured as lethal action in the presence of the protein synthesis inhibitor chloramphenicol, is enhanced by N-1 cyclopropyl and
Andriy G Golub et al.
Journal of medicinal chemistry, 49(22), 6443-6450 (2006-10-27)
Due to the emerging role of protein kinase CK2 as a molecule that participates not only in the development of some cancers but also in viral infections and inflammatory failures, small organic inhibitors of CK2, besides application in scientific research

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