structure of 6-(trifluoromethyl)-1H-indazol-5-amine

6-(trifluoromethyl)-1H-indazol-5-amine

CAS No.: 1000373-75-0
M. Wt: 201.14900
M. Fa: C8H6F3N3
InChI Key: MHRNJCQQTAOQEH-UHFFFAOYSA-N
Appearance: Gray Solid

Names and Identifiers of 6-(trifluoromethyl)-1H-indazol-5-amine

CAS Number

1000373-75-0

MDL Number

MFCD24642227

IUPAC Name

6-(trifluoromethyl)-1H-indazol-5-amine

InChI

InChI=1S/C8H6F3N3/c9-8(10,11)5-2-7-4(1-6(5)12)3-13-14-7/h1-3H,12H2,(H,13,14)

InChIKey

MHRNJCQQTAOQEH-UHFFFAOYSA-N

Canonical SMILES

C1=C2C=NNC2=CC(=C1N)C(F)(F)F

UNSPSC Code

12352100

Physical and chemical properties of 6-(trifluoromethyl)-1H-indazol-5-amine

Exact Mass

201.05100

LogP

2.74510

Molecular Formula

C8H6F3N3

Molecular Weight

201.14900

PSA

54.70000

Safety Information of 6-(trifluoromethyl)-1H-indazol-5-amine

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 6-(trifluoromethyl)-1H-indazol-5-amine

The applications of 6-(trifluoromethyl)-1H-indazol-5-amine are mainly in the pharmaceutical industry:

  • Drug Development: Its unique properties make it a candidate for developing new therapeutic agents targeting various diseases, particularly cancers related to FGFR pathways.
  • Research Tool: It serves as a model compound in studies exploring the structure-activity relationship of indazole derivatives.

Interaction Studies of 6-(trifluoromethyl)-1H-indazol-5-amine

Interaction studies involving 6-(trifluoromethyl)-1H-indazol-5-amine focus on its binding affinity to various biological targets:

  • Kinase Inhibition Profiles: Research has shown that modifications in the indazole structure can significantly affect binding affinity and selectivity towards kinases such as FGFRs.
  • Molecular Docking Studies: Computational studies provide insights into how this compound interacts at the molecular level with target proteins, helping guide further modifications for enhanced efficacy.

Biological Activity of 6-(trifluoromethyl)-1H-indazol-5-amine

Indazole derivatives, including 6-(trifluoromethyl)-1H-indazol-5-amine, exhibit diverse biological activities. They have been studied for their potential as:

  • Fibroblast Growth Factor Receptor (FGFR) Inhibitors: Some derivatives show promising inhibitory effects on FGFRs, which are crucial in cancer progression.
  • Anti-inflammatory Agents: Indazole compounds have been linked to anti-inflammatory properties through modulation of various signaling pathways.
  • Anticancer Agents: Due to their ability to inhibit specific kinases involved in tumor growth, these compounds are being explored for cancer therapy.

Physical sample testing spectrum (NMR) of 6-(trifluoromethyl)-1H-indazol-5-amine

Physical sample testing spectrum (NMR) of 6-(trifluoromethyl)-1H-indazol-5-amine