structure of 7-CHLORO-5-IODO (1H)INDAZOLE

7-CHLORO-5-IODO (1H)INDAZOLE

CAS No.: 1000343-56-5
M. Wt: 278.478
M. Fa: C7H4ClIN2
InChI Key: TZBKZYKDFMZFCW-UHFFFAOYSA-N
Appearance: Pale Purple To Purple Solid

Names and Identifiers of 7-CHLORO-5-IODO (1H)INDAZOLE

CAS Number

1000343-56-5

MDL Number

MFCD09880077

IUPAC Name

7-chloro-5-iodo-1H-indazole

InChI

InChI=1S/C7H4ClIN2/c8-6-2-5(9)1-4-3-10-11-7(4)6/h1-3H,(H,10,11)

InChIKey

TZBKZYKDFMZFCW-UHFFFAOYSA-N

Canonical SMILES

ClC1=CC(I)=CC2=C1NN=C2

UNSPSC Code

12352100

Physical and chemical properties of 7-CHLORO-5-IODO (1H)INDAZOLE

Boiling Point

388.2±22.0 °C at 760 mmHg

Density

2.2±0.1 g/cm3

Exact Mass

277.910767

Flash Point

188.6±22.3 °C

H Bond Acceptors

1

H Bond Donors

1

Index of Refraction

1.785

LogP

2.99

Molecular Formula

C7H4ClIN2

Molecular Weight

278.478

PSA

28.68000

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of 7-CHLORO-5-IODO (1H)INDAZOLE

Pictograms

Signal Word

 Warning

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

Applications of 7-CHLORO-5-IODO (1H)INDAZOLE

7-Chloro-5-iodo-1H-indazole has several applications, particularly in medicinal chemistry:

  • Drug Development: Its ability to inhibit specific kinases makes it a candidate for anti-cancer drug development.
  • Chemical Probes: This compound can serve as a chemical probe in biological studies aimed at understanding kinase-related pathways.
  • Synthesis of Complex Molecules: Its reactivity allows it to be used as an intermediate in synthesizing more complex organic compounds.

Interaction Studies of 7-CHLORO-5-IODO (1H)INDAZOLE

Studies on the interactions of 7-chloro-5-iodo-1H-indazole with biological targets have revealed:

  • Kinase Binding Affinity: Research indicates that this compound binds effectively to specific kinases, leading to inhibition and subsequent alteration of downstream signaling pathways.
  • Cellular Effects: In vitro studies show that treatment with this compound can lead to changes in cell proliferation rates and apoptosis in cancer cell lines, highlighting its potential therapeutic effects.

Biological Activity of 7-CHLORO-5-IODO (1H)INDAZOLE

Indazole derivatives, including 7-chloro-5-iodo-1H-indazole, have shown promising biological activities:

  • Kinase Inhibition: This compound has been reported to inhibit various kinases, such as checkpoint kinases (chk1 and chk2), which play critical roles in cell cycle regulation and DNA damage response. This inhibition may lead to anti-cancer effects by disrupting cellular proliferation and survival pathways.
  • Antimicrobial Properties: Some studies suggest that indazole derivatives exhibit antimicrobial activity, making them potential candidates for developing new antibiotics.