Tie2 kinase inhibitor - Moligand™, ≥97% , Inhibitor of TEK receptor tyrosine kinase, CAS No.948557-43-5, Inhibitor of TEK receptor tyrosine kinase

CAS: 948557-43-5 Cat. No.: T129823 Molecular Weight: 439.53 PubChem CID: 23625762

GRADE & PURITY Moligand™, ≥97%

Synonyms

Tie2 IN 5; Tie2IN5; Tie2 inhibitor 5; Tie2-inhibitor-5; Tie2 kinase inhibitor 5 | NCGC00090707-04 | SMR004702865 | CHEBI:91442 | DTXSID60635231 | Tie2 kinase-IN-1 | BDBM50217603 | Tie2 kinase inhibitor 1 | BB 0258870 | FT-0671288 | Tie2 Kinase | 4-[2-(4-m

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Tie2 IN 5; Tie2IN5; Tie2 inhibitor 5; Tie2-inhibitor-5; Tie2 kinase inhibitor 5 | NCGC00090707-04 | SMR004702865 | CHEBI:91442 | DTXSID60635231 | Tie2 kinase-IN-1 | BDBM50217603 | Tie2 kinase inhibitor 1 | BB 0258870 | FT-0671288 | Tie2 Kinase | 4-[2-(4-m

Specifications & Purity

Moligand™, ≥97%

Biochemical and Physiological Mechanisms

Potent, reversible and selective ATP-binding site-targeting Tie2 kinase inhibitor (IC 50 = 250 nM). Anti- angiogenesis agent. Active in vivo and in vivo. Cell-permeable.

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.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of TEK receptor tyrosine kinase

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488200358
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200358
• Canonical Smiles: COC1=CC2=C(C=C1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)S(=O)C)C5=CC=NC=C5
• IUPAC Name: 4-[4-(6-methoxynaphthalen-2-yl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine
• InChIKey: SINQIEAULQKUPD-UHFFFAOYSA-N
• INCHI: 1S/C26H21N3O2S/c1-31-22-8-5-19-15-21(4-3-20(19)16-22)25-24(17-11-13-27-14-12-17)28-26(29-25)18-6-9-23(10-7-18)32(2)30/h3-16H,1-2H3,(H,28,29)
• Isomeric SMILES: COC1=CC2=C(C=C1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)S(=O)C)C5=CC=NC=C5
• Alternate CAS: 948557-43-5
• PubChem CID: 23625762
• MeSH Entry Terms: 4-(6-methoxy-2-naphthyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)-1H-imidazole
• Molecular Weight: 439.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Naphthalenes Phenyl sulfoxides Anisoles 2,4,5-trisubstituted imidazoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Sulfoxides Sulfinyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylimidazole - Naphthalene - Phenyl sulfoxide - 2,4,5-trisubstituted-imidazole - Anisole - Trisubstituted imidazole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Sulfoxide - Sulfinyl compound - Azacycle - Ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN 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(Human)

TEK Tclin Angiopoietin-1 receptor (1 Activities)

Discover Target: TEK

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TEK Tclin Tyrosine-protein kinase TIE-2 (3348 Activities)

Discover Target: TEK

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mus musculus (284745 Activities)

Explore this target

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

MOPC 315 (5 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 35 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Molecular Weight: 439.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 439.135 Da
• Monoisotopic Mass: 439.135 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 635.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1