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199666-03-0

199666-03-0 Structure

199666-03-0 Structure
IdentificationBack Directory
[Name]

3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
[CAS]

199666-03-0
[Synonyms]

CS-1828
R061-8048
Ro 61-8048, >=98%
Ro 61-8048 >=98% (HPLC)
KMO Inhibitor I, Ro 61-8048
KMO Inhibitor I, Ro 61-8048 - CAS 199666-03-0 - Calbiochem
3,4-Dimethoxy-N-4-(3-nitro-phenyl)-thiazol-2-yl-benzenesulfomide
3,4-Dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]benzenesulfonamide
3,4-diMethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulfonaMide
Benzenesulfonamide, 3,4-dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]-
3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
RO61-80483,4-dimethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)Benzenesulfonamide
3,4-dimethoxy 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
NMDA,Ro 61 8048,inhibit,Ro 61-8048,dystonia,Inhibitor,hydroxylase,Ro 618048,kynurenine
3,4-Dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]benzenesulfonamide RO61-8048
RO 61-8048 3,4-Dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]benzenesulfonamide
[Molecular Formula]

C17H15N3O6S2
[MDL Number]

MFCD11040807
[MOL File]

199666-03-0.mol
[Molecular Weight]

421.45
Chemical PropertiesBack Directory
[Melting point ]

185℃
[Boiling point ]

627.4±65.0 °C(Predicted)
[density ]

1.471±0.06 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

2-8°C
[solubility ]

DMSO: ≥15mg/mL
[form ]

Yellow solid
[pka]

6.29±0.10(Predicted)
[color ]

faint yellow to yellow
[InChI]

1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)
[InChIKey]

NDPBMCKQJOZAQX-UHFFFAOYSA-N
[SMILES]

COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)-c3cccc(c3)[N+]([O-])=O
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25-36
[Safety Statements ]

26-45
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Ro 61-8048 is a potent and competitive kynurenine 3-monooxygenase (KMO) inhibitor.
[Definition]

ChEBI: Ro 61-8048 is a C-nitro compound.
[Biological Activity]

Potent and competitive kynurenine 3-hydroxylase inhibitor (K i = 4.8 nM, IC 50 = 37 nM). Increases kynurenic acid levels to concentrations that antagonize the glycine site of NMDA receptors. Brain penetrant and exhibits antidystonic, anticonvulsant and neuroprotective activities.
[Biochem/physiol Actions]

Ro 61-8048 is an inhibitor of kynurenine 3-monooxygenase (KMO) that increases kynurenic acid levels and reduces extracellular glutamate in the brain.
[storage]

+4°C
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide(199666-03-0)1HNMR
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