Ro 61-8048 - 10mM in DMSO , CAS No.199666-03-0

CAS: 199666-03-0 Cat. No.: R422429 Formula: C₁₇H₁₅N₃O₆S₂ Peso molecolare: 421.45 Numero EC: 694-353-3 PubChem CID: 5282337

GRADE & PURITY 10mM in DMSO

Synonyms

HB0556 | Ro 61-8048, >=98% (HPLC) | EX-A805 | Ro-61-8048 | Ro61-8048 | DTXSID20415218 | Ro 61-8048 | 3,4-dimethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulfonamide | FT-0700256 | A899508 | C17H15N3O6S2 | SB19626 | NDPBMCKQJOZAQX-UHFFFAOYSA-N | 3,4-Dime

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Product Application：

Ro 61-8048 has been used as a kynurenine 3-monooxygenase (KMO) inhibitor to study its effects on nicotinamide adenine dinucleotide (NAD+) concentration in hepatocytes of mice.

Specifications

Sinonimi

HB0556 | Ro 61-8048, >=98% (HPLC) | EX-A805 | Ro-61-8048 | Ro61-8048 | DTXSID20415218 | Ro 61-8048 | 3,4-dimethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulfonamide | FT-0700256 | A899508 | C17H15N3O6S2 | SB19626 | NDPBMCKQJOZAQX-UHFFFAOYSA-N | 3,4-Dime

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Potent and competitive kynurenine 3-hydroxylase inhibitor (IC 50 = 37 nM). Shows antidystonic, anticonvulsant and neuroprotective effects in vivo. Orally active.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Pubchem Sid

528766964

Sorrisi canonici

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

IUPAC Name

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

InChIKey

NDPBMCKQJOZAQX-UHFFFAOYSA-N

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)

Isomeri SMILES

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

WGK Germania

3

PubChem CID

5282337

Peso molecolare

421.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Dimethoxybenzenes Benzenesulfonyl compounds Nitrobenzenes Phenoxy compounds Anisoles Nitroaromatic compounds 2,4-disubstituted thiazoles Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dimethoxybenzene - O-dimethoxybenzene - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Phenoxy compound - Methoxybenzene - Phenol ether - Nitroaromatic compound - Anisole - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Organosulfonic acid amide - Sulfonyl - Thiazole - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Azole - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Ether - Azacycle - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• External Descriptors: C-nitro compound

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

KMO Tchem Kynurenine 3-monooxygenase (3 Activities)

Discover Target: KMO

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KMO Tchem Kynurenine 3-monooxygenase (379 Activities)

Discover Target: KMO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver (3974 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsome (341 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 421.500 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 421.04 Da
• Monoisotopic Mass: 421.04 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 638.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1