Basic information
- CAS
948557-43-5- Standard SMILES
COc1ccc2cc(-c3nc(-c4ccc(S(C)=O)cc4)[nH]c3-c3ccncc3)ccc2c1- InChIKey
SINQIEAULQKUPD-UHFFFAOYSA-N- Molecular formula
- C26H21N3O2S
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.13544809
Overview
4-[4-(6-methoxy-2-naphthalenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine is a member of imidazoles.
Names & identifiers
- Preferred name
- 4-(6-methoxy-2-naphthyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)-1H-imidazole
- IUPAC
- 4-[4-(6-methoxynaphthalen-2-yl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine
- English name
- Tie2 kinase inhibitor
- Molecular formula
- C26H21N3O2S
- Molecular weight
- 439.53
Names & synonyms
4-(6-METHOXY-2-NAPHTHYL)-2-(4-METHYLSULFINYLPHENYL)-5-(4-PYRIDYL)-1H-IMIDAZOLERefChem:912229948557-43-5Tie2 kinase inhibitorTie2 kinase inhibitor 1Tie2 kinase-IN-1Tie2-IN-54-(4-(6-methoxynaphthalen-2-yl)-2-(4-(methylsulfinyl)phenyl)-1H-imidazol-5-yl)pyridineTie2 kinase inhibitor 5CHEMBL237352CHEBI:91442DTXSID60635231
Show more names
Tie2 kinase inhibitor USP/EP/BPTie2 kinase inhibitor（948557-43-5）Tie2 kinase inhibitor 1, 10 mM in DMSO4-(5-(6-methoxynaphthalen-2-yl)-2-(4-(methylsulfinyl)phenyl)-1H-imidazol-4-yl)pyridine
BDBM502176034-[4-(6-methoxynaphthalen-2-yl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridineSMR004702865CS-00197024-[4-(6-Methoxy-2-naphthalenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl]pyridine4-[4-(6-methoxy-2-naphthalenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridineC26H21N3O2S4-{4-(6-methoxynaphthalen-2-yl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl}pyridine
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 635
Physicochemical properties
- Boiling point
- 699.8 · 699.8±55.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- 22 mg/mL · ≥22 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
- form
- Powder
- pka
- 9.53 · 9.53±0.10(Predicted)
- color
- Light yellow to yellow
- InChI
- 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)
- InChIKey
- SINQIEAULQKUPD-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(C2NC(C3=CC=C(S(C)=O)C=C3)=NC=2C2=CC=C3C(=C2)C=CC(OC)=C3)=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesTie2 kinase inhibitor.
UsesTunica interna endothelial cell kinase 2 (Tie2, also known as angiopoietin-1 receptor or tek) is an endothelium-specific receptor tyrosine kinase important for the development of embryonic vasculature and for angiogenesis and vascular maintenance in adult tissues. Tie2 kinase inhibitor reversibly and selectively blocks Tie2 kinase activity with an IC50 value of 250 nM. It is 200-fold more potent for inhibition of Tie2 compared to p38. Tie2 kinase inhibitor has been shown to reduce angiogenesis in a Matrigel neovascularization assay and to delay tumor growth in MOPC-315 plasmacytoma and SVR angiosarcoma xenograft models.[Cayman Chemical]
Suppliers58 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
Related reactions
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Compound notes
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