4,7-DIFLUORO (1H)INDAZOLE
Names and Identifiers of 4,7-DIFLUORO (1H)INDAZOLE
CAS Number |
1000341-68-3 |
|---|---|
IUPAC Name |
4,7-bis(fluoranyl)-1H-indazole |
Canonical SMILES |
C1=CC(=C2C(=C1F)C=NN2)F |
Physical and chemical properties of 4,7-DIFLUORO (1H)INDAZOLE
Acidity coefficient |
11.31±0.40(Predicted) |
|---|---|
Boiling Point |
277.5±20.0 °C at 760 mmHg |
Density |
1.5±0.1 g/cm3 |
Exact Mass |
154.034256 |
Flash Point |
121.7±21.8 °C |
Index of Refraction |
1.625 |
LogP |
1.99 |
Molecular Formula |
C7H4F2N2 |
Molecular Weight |
154.117 |
PSA |
28.68000 |
Vapour Pressure |
0.0±0.6 mmHg at 25°C |
Applications of 4,7-DIFLUORO (1H)INDAZOLE
4,7-Difluoro-1H-indazole has several applications in medicinal chemistry due to its pharmacological properties. Its ability to inhibit key enzymes involved in cancer progression makes it a candidate for therapeutic development against various cancers. Moreover, its interaction with immune regulatory pathways positions it as a potential agent in immunotherapy. The compound's unique structure also makes it valuable in the development of new materials and chemical probes for research purposes.
Interaction Studies of 4,7-DIFLUORO (1H)INDAZOLE
Studies on the interactions of 4,7-difluoro-1H-indazole with biological targets have highlighted its potential effects on cell cycle progression and DNA repair mechanisms. By inhibiting CHK1 and CHK2 kinases, this compound may alter cellular responses to DNA damage, which is critical for cancer treatment strategies. Additionally, its role as an IDO1 inhibitor suggests that it may modulate immune responses by affecting tryptophan metabolism.
Biological Activity of 4,7-DIFLUORO (1H)INDAZOLE
The biological activity of 4,7-difluoro-1H-indazole is primarily attributed to its interactions with specific kinases, such as CHK1 and CHK2. These kinases are crucial in the DNA damage response pathway, and the compound's ability to modulate their activity suggests potential implications in cancer therapy and other diseases involving cell cycle dysregulation. Additionally, 4,7-difluoro-1H-indazole acts as an inhibitor of indoleamine 2,3-dioxygenase 1 (IDO1), an enzyme involved in tryptophan catabolism, which plays a significant role in immune regulation and tumor immune evasion.