JM6 , CAS No.1008119-83-2

CAS: 1008119-83-2 Cat. No.: J1453655 Molecular Weight: 518.61 EC Number: 802-387-9 PubChem CID: 24812126

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

JM6 is a weak kynurenine 3-monooxygenase (KMO) inhibitor with an IC 50 of 19.85 μM for mouse KMO. JM6 can be used for Alzheimer's diseases research.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: COC1=C(C=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)CN3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-])OC
• IUPAC Name: 3,4-dimethoxy-N-[4-(3-nitrophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzenesulfonamide
• InChIKey: AOZLMMDVJOGGEQ-UHFFFAOYSA-N
• INCHI: 1S/C23H26N4O6S2/c1-32-19-10-9-18(14-20(19)33-2)35(30,31)25-23-24-22(16-7-6-8-17(13-16)27(28)29)21(34-23)15-26-11-4-3-5-12-26/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,24,25)
• Isomeric SMILES: COC1=C(C=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)CN3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-])OC
• WGK Germany: 3
• PubChem CID: 24812126
• Molecular Weight: 518.61

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Dimethoxybenzenes Nitrobenzenes Benzenesulfonyl compounds 2,4,5-trisubstituted thiazoles Phenoxy compounds Anisoles Nitroaromatic compounds Alkyl aryl ethers Aralkylamines Piperidines Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dimethoxybenzene - O-dimethoxybenzene - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Phenol ether - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Methoxybenzene - Nitroaromatic compound - Anisole - Aralkylamine - Alkyl aryl ether - Piperidine - Organosulfonic acid amide - Sulfonyl - Aminosulfonyl compound - Thiazole - Organosulfonic acid or derivatives - Heteroaromatic compound - Azole - Organic sulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Ether - Organic oxoazanium - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Amine - Aromatic heteromonocyclic compound
• Description: 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: Not available

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