structure of Tert-butyl 2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate

Tert-butyl 2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate

CAS No.: 1000870-15-4
M. Wt: 212.29
M. Fa: C11H20N2O2
InChI Key: JRZFZVWZIJNIEQ-HLTSFMKQSA-N
Appearance: yellow oil

Names and Identifiers of 1000870-15-4

CAS Number

1000870-15-4

EC Number

845-267-1

IUPAC Name

tert-butyl (1S,2R,4R)-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate

InChI

InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(13)8(12)6-7/h7-9H,4-6,12H2,1-3H3/t7-,8-,9+/m1/s1

InChIKey

JRZFZVWZIJNIEQ-HLTSFMKQSA-N

Canonical SMILES

CC(C)(C)OC(=O)N1C2CCC1C(C2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C2)N

Physical and chemical properties of 1000870-15-4

Molecular Formula

C11H20N2O2

Molecular Weight

212.29

Storage condition

2-8°C

Safety Information of 1000870-15-4

Pictograms

Signal Word

 Danger

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

Applications of 1000870-15-4

(1R,2R,4S)-Rel-2-amino-7-boc-7-azabicyclo[2.2.1]heptane has potential applications in various fields:

  • Pharmaceutical development: Its unique structure makes it a candidate for new drug formulations targeting neurological disorders or infections.
  • Chemical biology: It can serve as a molecular probe to study biological processes involving amines.
  • Synthetic chemistry: The compound can be utilized as an intermediate in synthesizing more complex molecules.

Interaction Studies of 1000870-15-4

Interaction studies involving (1R,2R,4S)-Rel-2-amino-7-boc-7-azabicyclo[2.2.1]heptane often focus on its binding affinity to various biological targets:

  • Enzyme inhibition assays: These assays evaluate how well the compound inhibits specific enzymes linked to disease pathways.
  • Receptor binding studies: Investigating interactions with neurotransmitter receptors can provide insight into its potential CNS effects.

Such studies are crucial for understanding the pharmacodynamics and pharmacokinetics of the compound.

Biological Activity of 1000870-15-4

Research indicates that compounds similar to (1R,2R,4S)-Rel-2-amino-7-boc-7-azabicyclo[2.2.1]heptane may exhibit significant biological activities, including:

  • Antimicrobial properties: Some bicyclic amines have shown efficacy against bacterial and fungal strains.
  • CNS activity: Given its structural similarity to known psychoactive compounds, it may interact with neurotransmitter systems.
  • Anticancer potential: Certain derivatives have been investigated for their ability to inhibit tumor growth through various mechanisms.

The biological activity is often evaluated through high-throughput screening methods that assess the compound's effects on specific cellular targets or pathways.