LY83583 - Moligand™,≥98% , CAS No.91300-60-6

CAS: 91300-60-6 Cat. No.: L769809 Molecular Weight: 250.25 EC Number: 635-619-0 PubChem CID: 3976

GRADE & PURITY Moligand™, ≥98%

Synonyms

6-anilinoquinoline-5,8-dione | 6-Anilino-5,8-quinolinedione | 6-(Phenylamino)quinoline-5,8-dione | LY-83583

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

LY83583 is an inhibitor of soluble guanylate cyclase and of cGMP production.

Specifications

Synonyms

6-anilinoquinoline-5, 8-dione | 6-Anilino-5, 8-quinolinedione | 6-(Phenylamino)quinoline-5, 8-dione | LY-83583

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

LY83583 is inhibitor of soluble guanylate cyclase (sGC) with the ability to target the cGMP signaling pathway. LY83583 inhibits the kinase activity-related proliferation of tumor cells by inducing the Cdk inhibitor p21. LY83583 can be used for the study o

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)C=CC=N3
• IUPAC Name: 6-anilinoquinoline-5,8-dione
• InChIKey: GXIJYWUWLNHKNW-UHFFFAOYSA-N
• INCHI: 1S/C15H10N2O2/c18-13-9-12(17-10-5-2-1-3-6-10)15(19)11-7-4-8-16-14(11)13/h1-9,17H
• Isomeric SMILES: C1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)C=CC=N3
• WGK Germany: 3
• PubChem CID: 3976
• Molecular Weight: 250.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinoline quinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinoline quinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline quinones
• Alternative Parents: Hydroquinolines Aryl ketones Aniline and substituted anilines Secondary alkylarylamines Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Enamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline quinone - Dihydroquinoline - Aniline or substituted anilines - Aryl ketone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ketone - Enamine - Azacycle - Secondary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoline quinones. These are quinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton.
• External Descriptors: quinone - aromatic amine - aminoquinoline - quinolone

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

Chemical and Physical Properties

• Sensitivity: Light and moisture sensitive
• Molecular Weight: 250.250 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 250.074 Da
• Monoisotopic Mass: 250.074 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 410.000
• 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