structure of 4,5,6,7-Tetrahydroisoxazolo[4,3-c]pyridine

4,5,6,7-Tetrahydroisoxazolo[4,3-c]pyridine

CAS No.: 1000303-67-2
M. Wt: 124.14100
M. Fa: C6H8N2O
InChI Key: YCFOXBVIHVHHJS-UHFFFAOYSA-N

Names and Identifiers of 1000303-67-2

CAS Number

1000303-67-2

EC Number

853-504-5

MDL Number

MFCD12405584

IUPAC Name

4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

InChI

InChI=1S/C6H8N2O/c1-2-7-3-5-4-9-8-6(1)5/h4,7H,1-3H2

InChIKey

YCFOXBVIHVHHJS-UHFFFAOYSA-N

Canonical SMILES

C1CNCC2=CON=C21

UNSPSC Code

12352100

Physical and chemical properties of 1000303-67-2

Acidity coefficient

7.79±0.20(Predicted)

Boiling Point

262℃

Density

1.146

Exact Mass

124.06400

Flash Point

112℃

H Bond Acceptors

2

H Bond Donors

1

LogP

0.64910

Molecular Formula

C6H8N2O

Molecular Weight

124.14100

PSA

38.06000

Safety Information of 1000303-67-2

Pictograms

Signal Word

 Danger

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

Applications of 1000303-67-2

The applications of 4,5,6,7-tetrahydroisoxazolo[4,3-c]pyridine are broad and include:

  • Pharmaceutical Development: Due to its interaction with GABA receptors and potential anxiolytic effects.
  • Agricultural Chemistry: As a scaffold for developing new agrochemicals.
  • Material Science: In the synthesis of polymers or materials with unique electronic or optical properties.

Interaction Studies of 1000303-67-2

Interaction studies involving 4,5,6,7-tetrahydroisoxazolo[4,3-c]pyridine often focus on its binding affinity to various receptors. For example:

  • Gaboxadol's unique affinity for extrasynaptic GABA A receptors suggests that it may modulate neurotransmitter activity differently than traditional benzodiazepines or barbiturates.
  • Studies have shown that derivatives can interact with muscarinic receptors and other targets in the central nervous system.

These interactions are crucial for understanding the pharmacological profile of this compound and its potential therapeutic uses.

Biological Activity of 1000303-67-2

4,5,6,7-Tetrahydroisoxazolo[4,3-c]pyridine exhibits significant biological activity. It has been studied for its effects on various cell lines, including HeLa (human cervical cancer), Ehrlich Ascites Carcinoma (EAC), and MCF-7 (human breast cancer) cells. Research indicates that compounds derived from this scaffold can exhibit cytotoxic effects against these cancer cell lines.

Additionally, gaboxadol (a derivative of this compound) has been investigated for its action on the GABA system. It acts as a supra-maximal agonist at certain GABA A receptor subtypes and has been explored for potential therapeutic applications in treating insomnia and other neurological disorders.