Ro 61-8048

CAT: 0013-GTR19173144-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19173144-01Size:2 mg

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Description

Ro 61-8048 is a highly selective kynurenine hydroxylase inhibitor, demonstrating potent activity with an IC50 of 37 nM. This compound is a valuable research tool for studying the kynurenine pathway in models of neurological disorders, including both in vitro assays and in vivo experimental systems.

CAS Number

199666-03-0

Product Name Alternative

Dystonia, Inhibitor, hydroxylase, kynurenine, KMO, inhibit, NMDA, Ro 61 8048, Ro 618048, Ro 61-8048

Field of Research

Metabolism Research

Purity

98.00% (May vary between batches)

Solubility

10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.75 mM) ; Ethanol:4.21 mg/mL (9.99 mM) ; DMSO:42.2 mg/mL (100.13 mM)

Smiles

COc1ccc (cc1OC) S (=O) (=O) Nc1nc (cs1) -c1cccc (c1) [N+] ([O-]) =O

Molecular Formula

C17H15N3O6S2

Molecular Weight

421.45

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

3,4-Dimethoxy-N-(4-(3-nitrophenyl)-2-thiazolyl)benzenesulfonamide

Ro 61-8048 is a C-nitro compound.

CAS Number	199666-03-0
PubChem CID	5282337
IUPAC Name	3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
Molecular Formula	C17H15N3O6S2
Molecular Weight	421.5
XLogP	3.2
Topological Polar Surface Area	160
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	638

SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

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

Chemical Structure

2D Structure

CAS: 199666-03-0

CID: 5282337

Formula: C17H15N3O6S2

MW: 421.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	421.5
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	421.04022755
Monoisotopic Mass	421.04022755
Topological Polar Surface Area	160 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	638
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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B7334-50	Ro 61-8048

Ro 61-8048

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