LDN 212320 - ≥98%(HPLC) , CAS No.894002-50-7

CAS: 894002-50-7 Cat. No.: L287431 Formula: C₁₇H₁₅N₃S Molecular Weight: 293.39

GRADE & PURITY ≥98%(HPLC)

Synonyms

3-[[(2-Methylphenyl)methyl]thio]-6-(2-pyridinyl)-pyridazine | LDN-212320 | LDN/OSU-0212320, LDN-0212320, OSU-0212320 | 3-((2-methylbenzyl)thio)-6-(pyridin-2-yl)pyridazine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

3-[[(2-Methylphenyl)methyl]thio]-6-(2-pyridinyl)-pyridazine | LDN-212320 | LDN/OSU-0212320, LDN-0212320, OSU-0212320 | 3-((2-methylbenzyl)thio)-6-(pyridin-2-yl)pyridazine

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Increases expression of glutamate transporter EAAT2 in PA-EAAT2 cells. Displays neuroprotective activityin vivo.Shown to improve learning and memory, restore synaptic integrity and reduce amyloid plaque burden in APPSw/Ind mice.

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

ACTIVATOR

Purity

≥98%(HPLC)

Names and Identifiers

Pubchem Sid

504764734

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764734

Canonical Smiles

CC1=CC=CC=C1CSC2=NN=C(C=C2)C3=CC=CC=N3

IUPAC Name

3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine

InChIKey

DUUQLWDHNYFUPP-UHFFFAOYSA-N

INCHI

1S/C17H15N3S/c1-13-6-2-3-7-14(13)12-21-17-10-9-16(19-20-17)15-8-4-5-11-18-15/h2-11H,12H2,1H3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(C=C2)C3=CC=CC=N3

Molecular Weight

293.39

Reaxy-Rn

21840389

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21840389&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpyrimidines
• Alternative Parents: Toluenes Alkylarylthioethers Pyridines and derivatives Pyridazines and derivatives Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinylpyrimidine - Aryl thioether - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Pyridazine - Pyridine - Benzenoid - Heteroaromatic compound - Thioether - Sulfenyl compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
• 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(non-human)

Slc1a2 Excitatory amino acid transporter 2 (39 Activities)

Discover Target: Slc1a2

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

Rattus norvegicus (775804 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

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 29.34, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 5.87, Max Conc. mM: 20
• Molecular Weight: 293.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 293.099 Da
• Monoisotopic Mass: 293.099 Da
• Topological Polar Surface Area: 64.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 312.000
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 894002-50-7, the molecular formula is C17H15N3S, and the molecular weight is 293.39 g/mol. InChIKey DUUQLWDHNYFUPP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.