structure of 5-Isothiocyanatoquinoline

5-Isothiocyanatoquinoline

CAS No.: 1001183-84-1
M. Wt: 186.23300
M. Fa: C10H6N2S
InChI Key: PHYKIILAWGSZIA-UHFFFAOYSA-N

Names and Identifiers of 5-Isothiocyanatoquinoline

CAS Number

1001183-84-1

IUPAC Name

5-isothiocyanatoquinoline

InChI

InChI=1S/C10H6N2S/c13-7-12-10-5-1-4-9-8(10)3-2-6-11-9/h1-6H

InChIKey

PHYKIILAWGSZIA-UHFFFAOYSA-N

Canonical SMILES

C1=CC2=C(C=CC=N2)C(=C1)N=C=S

Physical and chemical properties of 5-Isothiocyanatoquinoline

Exact Mass

186.02500

LogP

2.96910

Molecular Formula

C10H6N2S

Molecular Weight

186.23300

PSA

57.34000

Applications of 5-Isothiocyanatoquinoline

5-Isothiocyanatoquinoline has several applications:

  • Pharmaceuticals: Due to its biological activity, it serves as a lead compound for developing new anticancer agents and antimicrobial drugs.
  • Biochemical Research: It is used as a tool in biochemical assays to study protein interactions and enzyme activities due to its ability to modify thiol groups in proteins.
  • Agricultural Chemistry: Compounds with isothiocyanate groups are explored for their potential as natural pesticides and herbicides.

Interaction Studies of 5-Isothiocyanatoquinoline

Interaction studies involving 5-isothiocyanatoquinoline focus on its binding affinity with various biological targets. Research indicates that it can interact with enzymes such as cytochrome P450s, influencing drug metabolism and toxicity. Additionally, studies have shown its potential to modulate signaling pathways related to cancer progression, making it a candidate for combination therapies in oncology.

Biological Activity of 5-Isothiocyanatoquinoline

5-Isothiocyanatoquinoline exhibits notable biological activities. Research indicates that compounds containing isothiocyanate groups possess anticancer properties due to their ability to induce apoptosis in cancer cells and inhibit tumor growth. Additionally, they have demonstrated antimicrobial activity against various bacterial strains. The mechanism of action often involves the modulation of cellular signaling pathways and the induction of oxidative stress in target cells.

Retrosynthesis analysis of 5-Isothiocyanatoquinoline

  • Route#1

    Cas:611-34-7
    Cas:1001183-84-1