IFN alpha-IFNAR-IN-1 hydrochloride - Moligand™, ≥98% , CAS No.2070014-98-9

CAS: 2070014-98-9 Cat. No.: I692993 Molecular Weight: 315.86 PubChem CID: 72193873

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-Methyl-1-(2-(naphthalen-1-ylthio)phenyl)methanamine hydrochloride

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

IFN alpha-IFNAR-IN-1 hydrochloride is a nonpeptidic, low-molecular-weight inhibitor of the interaction between IFN-α and IFNAR. IFN alpha-IFNAR-IN-1 hydrochloride inhibits modified Vaccinia virus ankara (MVA)-induced IFN-α responses in murine bone-marrow-derived, Flt3- L-differentiated pDC cultures (BM-pDCs) (IC50=2-8 μM).

Specifications

Synonyms

N-Methyl-1-(2-(naphthalen-1-ylthio)phenyl)methanamine hydrochloride

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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: CNCC1=CC=CC=C1SC2=CC=CC3=CC=CC=C32.Cl
• IUPAC Name: N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine;hydrochloride
• InChIKey: QTESJCPDPNGOLF-UHFFFAOYSA-N
• INCHI: 1S/C18H17NS.ClH/c1-19-13-15-8-3-5-11-17(15)20-18-12-6-9-14-7-2-4-10-16(14)18;/h2-12,19H,13H2,1H3;1H
• Isomeric SMILES: CNCC1=CC=CC=C1SC2=CC=CC3=CC=CC=C32.Cl
• PubChem CID: 72193873
• Molecular Weight: 315.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Naphthalenes Thiophenol ethers Phenylmethylamines Benzylamines Aralkylamines Sulfenyl compounds Dialkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Diarylthioether - Naphthalene - Benzylamine - Phenylmethylamine - Thiophenol ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Secondary aliphatic amine - Sulfenyl compound - Secondary amine - Hydrochloride - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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

Associated Targets(Human)

IFNAR1 Tclin Interferon-alpha/beta receptor alpha chain (50 Activities)

Discover Target: IFNAR1

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

Associated Targets(non-human)

Trypanosoma brucei brucei (13300 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 279.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 279.108 Da
• Monoisotopic Mass: 279.108 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 293.000
• 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