1-(3-Methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Names and Identifiers of 1000801-76-2
CAS Number |
1000801-76-2 |
|---|---|
MDL Number |
MFCD16659789 |
IUPAC Name |
1-(3-methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
InChI |
InChI=1S/C13H23BN2O3/c1-12(2)13(3,4)19-14(18-12)11-9-15-16(10-11)7-6-8-17-5/h9-10H,6-8H2,1-5H3 |
InChIKey |
DTOZABIUQZZUAV-UHFFFAOYSA-N |
Canonical SMILES |
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCCOC |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000801-76-2
Acidity coefficient |
2.00±0.10(Predicted) |
|---|---|
Boiling Point |
375.2±22.0 °C at 760 mmHg |
Density |
1.1±0.1 g/cm3 |
Exact Mass |
266.180176 |
Flash Point |
180.7±22.3 °C |
Index of Refraction |
1.497 |
LogP |
1.21880 |
Molecular Formula |
C13H23BN2O3 |
Molecular Weight |
266.144 |
PSA |
45.51000 |
Storage condition |
2-8°C |
Vapour Pressure |
0.0±0.8 mmHg at 25°C |
Safety Information of 1000801-76-2
Applications of 1000801-76-2
The compound has potential applications in:
- Pharmaceuticals: Due to its interaction with FGFR2 and other biological targets.
- Material Science: As a building block for advanced materials due to its unique structural properties.
- Agricultural Chemistry: Potential use in developing agrochemicals that target specific plant growth factors.
Interaction Studies of 1000801-76-2
Studies on the interactions of 1-(3-Methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole with biological systems indicate that it may modulate signaling pathways involved in cell proliferation and differentiation. Its ability to bind to specific receptors suggests it could be useful in targeted therapies.
Biological Activity of 1000801-76-2
Research indicates that 1-(3-Methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole exhibits significant biological activity. It has been shown to interact with fibroblast growth factor receptor 2 (FGFR2), making it a potential candidate for therapeutic applications in cancer treatment. Additionally, its unique structure may contribute to its ability to modulate various biological pathways.
Physical sample testing spectrum (NMR) of 1000801-76-2
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