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Safety Information

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

Signal Word

Warning

Hazard Statements

H315,H319,H335

Precautionary Statements

P261 - P305 + P351 + P338

Hazard Classifications

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

472670-5G:
472670-1G:
472670-VAR:
472670-BULK:

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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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