structure of 5-chloro-6-methyl-1H-indazole

5-chloro-6-methyl-1H-indazole

CAS No.: 1000343-64-5
M. Wt: 166.608
M. Fa: C8H7ClN2
InChI Key: AZRKNIXNPZGYOM-UHFFFAOYSA-N

Names and Identifiers of 5-chloro-6-methyl-1H-indazole

CAS Number

1000343-64-5

MDL Number

MFCD09026994

IUPAC Name

5-chloro-6-methyl-1H-indazole

InChI

InChI=1S/C8H7ClN2/c1-5-2-8-6(3-7(5)9)4-10-11-8/h2-4H,1H3,(H,10,11)

InChIKey

AZRKNIXNPZGYOM-UHFFFAOYSA-N

Canonical SMILES

CC1=CC2=C(C=C1Cl)C=NN2

UNSPSC Code

12352100

Physical and chemical properties of 5-chloro-6-methyl-1H-indazole

Boiling Point

321.7±22.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

166.029770

Flash Point

178.0±7.9 °C

H Bond Acceptors

1

H Bond Donors

1

Index of Refraction

1.675

LogP

2.88

Molecular Formula

C8H7ClN2

Molecular Weight

166.608

PSA

28.68000

Storage condition

2-8°C

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 5-chloro-6-methyl-1H-indazole

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 5-chloro-6-methyl-1H-indazole

The applications of 5-chloro-6-methyl-1H-indazole are diverse, particularly in medicinal chemistry. Its potential as an anticancer agent makes it a candidate for drug development targeting specific pathways involved in tumor growth. Furthermore, its ability to interact with various enzymes suggests possible applications in enzyme inhibition studies and biochemical assays.

Interaction Studies of 5-chloro-6-methyl-1H-indazole

Interaction studies of 5-chloro-6-methyl-1H-indazole have revealed its capacity to bind with various proteins and enzymes. These interactions can lead to significant biological effects, including enzyme inhibition and modulation of signaling pathways critical for cell survival and proliferation. Detailed studies are ongoing to elucidate the specific binding sites and affinities of this compound with target biomolecules.

Biological Activity of 5-chloro-6-methyl-1H-indazole

5-Chloro-6-methyl-1H-indazole exhibits significant biological activity, particularly in the realm of cancer research. Studies have shown that this compound can inhibit certain enzymes involved in critical cellular pathways, such as phosphoinositide 3-kinase, which plays a role in cell growth and survival. The compound has demonstrated the ability to induce apoptosis in cancer cells by disrupting mitochondrial function and activating caspases.

Additionally, its interaction with various biomolecules highlights its potential as a therapeutic agent. The molecular mechanisms through which it exerts these effects involve binding to specific enzymes and receptors, leading to modulation of their activity.