structure of 3-Iodo-1H-indazol-7-amine

3-Iodo-1H-indazol-7-amine

CAS No.: 1000340-82-8
M. Wt: 259.047
M. Fa: C7H6IN3
InChI Key: PKVMOBFPBGHIFO-UHFFFAOYSA-N
Appearance: white to yellow solid

Names and Identifiers of 3-Iodo-1H-indazol-7-amine

CAS Number

1000340-82-8

MDL Number

MFCD09027047

IUPAC Name

3-iodo-2H-indazol-7-amine

InChI

InChI=1S/C7H6IN3/c8-7-4-2-1-3-5(9)6(4)10-11-7/h1-3H,9H2,(H,10,11)

InChIKey

PKVMOBFPBGHIFO-UHFFFAOYSA-N

Canonical SMILES

C1=CC2=C(NN=C2C(=C1)N)I

UNSPSC Code

12352100

Physical and chemical properties of 3-Iodo-1H-indazol-7-amine

Boiling Point

452.2±25.0 °C at 760 mmHg

Density

2.2±0.1 g/cm3

Exact Mass

258.960632

Flash Point

227.3±23.2 °C

Index of Refraction

1.859

LogP

1.87

Molecular Formula

C7H6IN3

Molecular Weight

259.047

PSA

54.70000

Vapour Pressure

0.0±1.1 mmHg at 25°C

Safety Information of 3-Iodo-1H-indazol-7-amine

Pictograms

Signal Word

 Warning

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

Applications of 3-Iodo-1H-indazol-7-amine

3-Iodo-1H-indazol-7-amine has several notable applications:

  • Pharmaceutical Development: It serves as a scaffold for developing new anti-cancer drugs due to its promising biological activity against various cancer cell lines.
  • Chemical Research: The compound is used in synthetic chemistry for creating more complex indazole derivatives through various coupling reactions.

Interaction Studies of 3-Iodo-1H-indazol-7-amine

Interaction studies indicate that 3-Iodo-1H-indazol-7-amine can interact with several biological targets:

  • Enzyme Inhibition: It has been noted to inhibit specific cytochrome P450 enzymes such as CYP1A2, which plays a role in drug metabolism.
  • Cellular Mechanisms: Studies suggest that it may interfere with signaling pathways involved in cancer cell proliferation and survival, although detailed mechanisms require further investigation.

Biological Activity of 3-Iodo-1H-indazol-7-amine

Research indicates that 3-Iodo-1H-indazol-7-amine exhibits significant biological activities, particularly in anti-cancer applications. Indazole derivatives are known to interact with various biological targets, leading to inhibition of cancer cell proliferation. Studies have shown that compounds with similar structures can inhibit specific cancer cell lines, such as K562, suggesting that 3-Iodo-1H-indazol-7-amine may also possess similar properties.

Physical sample testing spectrum (NMR) of 3-Iodo-1H-indazol-7-amine

Physical sample testing spectrum (NMR) of 3-Iodo-1H-indazol-7-amine