KIN101 - ≥99% , CAS No.610753-87-2

CAS: 610753-87-2 Cat. No.: K651397 Molecular Weight: 395.22 PubChem CID: 1998840

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

KIN101 is a potent RNA viral inhibitor with IC 50 s of 2 μM, >5 μM for influenza virus and Dengue virus (DNV), respectively. KIN101, an isoflavone agonist of IRF-3 dependent signaling, induces IRF-3 nuclear translocation. KIN101 has broad-spectrum activity against RNA viruses

In Vitro

KIN 101 (10 μM; 24 hours) causes a significant decrease in the NP protein abundance. KIN 101 (10 μM; 18 hours) shows a >1 log decrease in HCV RNA levels. KIN 101 (0.01, 0.1, 1, 10, 100 μM) has a significant and dose-dependent effect on the formation of foci and has an IC 50 of 0.2 μM. KIN 101 (5, 10, 20, 50 μM; 4 hours) causes a dose-dependent decrease in influenza virus infection in MRC5 cells. KIN 101 results in a significant increase in the levels of ISGs as well as other proteins downstream of IRF activation such as RIG-I and MDA5. KIN101 (0.1-100 μM; 18 hours) shows the antiviral activity against hepatitis C virus (HCV). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: MRC5 cells Concentration: 10 μM Incubation Time: 24 hours Result: Caused a significant decrease in the NP protein abundance. RT-PCRCell Line: Huh7 cells Concentration: 10 μM Incubation Time: 18 hours Result: Showed a >1 log decrease in HCV RNA levels.

Form:Solid

IC50& Target:IC50: 2 μM (influenza virus) and >5 μM (DNV)

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

KIN101 is a potent RNA viral inhibitor with IC 50 s of 2 μM, >5 μM for influenza virus and Dengue virus (DNV), respectively. KIN101, an isoflavone agonist of IRF-3 dependent signaling, induces IRF-3 nuclear translocation. KIN101 has broad-spectrum activit

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.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CS(=O)(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)Br
• IUPAC Name: [3-(4-bromophenyl)-4-oxochromen-7-yl] methanesulfonate
• InChIKey: SJGDYHHAYHRLNC-UHFFFAOYSA-N
• INCHI: 1S/C16H11BrO5S/c1-23(19,20)22-12-6-7-13-15(8-12)21-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9H,1H3
• Isomeric SMILES: CS(=O)(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)Br
• PubChem CID: 1998840
• Molecular Weight: 395.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Isoflavonoids
      • Subclass Isoflav-2-enes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Isoflavonoids
• Subclass: Isoflav-2-enes
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoflavones
• Alternative Parents: Chromones Pyranones and derivatives Bromobenzenes Sulfonic acid esters Organosulfonic acid esters Aryl bromides Sulfonyls Methanesulfonates Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoflavone - Chromone - Benzopyran - 1-benzopyran - Bromobenzene - Halobenzene - Pyranone - Organosulfonic acid ester - Sulfonic acid ester - Pyran - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Oxacycle - Organoheterocyclic compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 41.67 mg/mL (105.43 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 395.200 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 393.951 Da
• Monoisotopic Mass: 393.951 Da
• Topological Polar Surface Area: 78.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 586.000
• 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