structure of Isoquinoline-1,7-diamine

Isoquinoline-1,7-diamine

CAS No.: 244219-96-3
M. Wt: 159.18800
M. Fa: C9H9N3
InChI Key: PUIYPHIFMLGHFX-UHFFFAOYSA-N

Names and Identifiers of Isoquinoline-1,7-diamine

CAS Number

244219-96-3

EC Number

891-491-8

MDL Number

MFCD18802667

IUPAC Name

isoquinoline-1,7-diamine

InChI

InChI=1S/C9H9N3/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H,10H2,(H2,11,12)

InChIKey

PUIYPHIFMLGHFX-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=CC2=C1C=CN=C2N)N

UNSPSC Code

12352100

Physical and chemical properties of Isoquinoline-1,7-diamine

Exact Mass

159.08000

H Bond Acceptors

3

H Bond Donors

2

LogP

1.91050

Molecular Formula

C9H9N3

Molecular Weight

159.18800

PSA

65.66000

Safety Information of Isoquinoline-1,7-diamine

Pictograms

Signal Word

Danger

Safety Data Sheet

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

Applications of Isoquinoline-1,7-diamine

Isoquinoline-1,7-diamine has several applications across different fields:

  • Pharmaceuticals: Its derivatives are being explored as potential drugs due to their biological activities.
  • Chemical Intermediates: Used in the synthesis of more complex organic molecules.
  • Material Science: Investigated for use in developing new materials with specific properties due to their unique structural characteristics.

These applications underscore its versatility in both medicinal and industrial chemistry.

Interaction Studies of Isoquinoline-1,7-diamine

Studies on isoquinoline-1,7-diamine interactions have revealed:

  • Protein Binding Affinity: Investigations into how this compound interacts with various proteins can provide insights into its mechanism of action as a drug candidate.
  • Receptor Binding Studies: Understanding its binding affinity to specific receptors helps elucidate its therapeutic potential and side effects.

These studies are crucial for advancing its application in drug design and development.

Biological Activity of Isoquinoline-1,7-diamine

Isoquinoline-1,7-diamine exhibits notable biological activities, including:

  • Antimicrobial Properties: Studies indicate that isoquinoline derivatives can inhibit the growth of various bacteria and fungi.
  • Anti-cancer Activity: Some derivatives show promise in inhibiting cancer cell proliferation, making them potential candidates for anticancer drug development.
  • Neuroprotective Effects: Research suggests that isoquinoline compounds may protect neuronal cells from oxidative stress and apoptosis.

These activities highlight its potential in pharmaceutical applications.

Retrosynthesis analysis of Isoquinoline-1,7-diamine

  • Route#1

    Cas:98410-85-6
    Cas:244219-96-3
  • Route#2

    Cas:244219-94-1
    Cas:244219-96-3
  • Route#3

    Cas:13058-73-6
    Cas:244219-96-3