structure of 4,7-DIFLUORO (1H)INDAZOLE

4,7-DIFLUORO (1H)INDAZOLE

CAS No.: 1000341-68-3
M. Wt: 154.117
M. Fa: C7H4F2N2
InChI Key: -

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.