structure of Tert-butyl N-(7H-purin-6-yl)carbamate

Tert-butyl N-(7H-purin-6-yl)carbamate

CAS No.: 309947-88-4
M. Wt: 235.24300
M. Fa: C10H13N5O2
InChI Key: IXLGPDYAOBHJFO-UHFFFAOYSA-N

Names and Identifiers of Tert-butyl N-(7H-purin-6-yl)carbamate

CAS Number

309947-88-4

IUPAC Name

tert-butyl N-(7H-purin-6-yl)carbamate

InChI

InChI=1S/C10H13N5O2/c1-10(2,3)17-9(16)15-8-6-7(12-4-11-6)13-5-14-8/h4-5H,1-3H3,(H2,11,12,13,14,15,16)

InChIKey

IXLGPDYAOBHJFO-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)NC1=NC=NC2=C1NC=N2

Physical and chemical properties of Tert-butyl N-(7H-purin-6-yl)carbamate

Exact Mass

235.10700

LogP

1.71350

Molecular Formula

C10H13N5O2

Molecular Weight

235.24300

PSA

96.28000

Applications of Tert-butyl N-(7H-purin-6-yl)carbamate

Tert-butyl N-(7H-purin-6-yl)carbamate has several notable applications:

  • Organic Synthesis: It serves as an intermediate in the synthesis of more complex organic molecules, particularly in medicinal chemistry.
  • Biological Research: The compound can be utilized to study the biological activity of purine derivatives and their interactions with various enzymes and receptors.
  • Pharmaceutical Development: It acts as a building block for developing potential therapeutic agents targeting diseases related to purine metabolism.

Interaction Studies of Tert-butyl N-(7H-purin-6-yl)carbamate

Interaction studies involving tert-butyl N-(7H-purin-6-yl)carbamate could focus on its binding affinity to specific enzymes involved in purine metabolism or its effect on nucleic acid structures. Such studies are crucial for understanding its potential therapeutic effects and mechanisms of action in biological systems.

Biological Activity of Tert-butyl N-(7H-purin-6-yl)carbamate

The biological activity of tert-butyl N-(7H-purin-6-yl)carbamate is primarily linked to its interaction with purine metabolism pathways. It may act as a substrate or inhibitor for enzymes involved in these pathways, influencing cellular processes such as DNA and RNA synthesis. Additionally, compounds with similar structures have shown potential antiviral and anticancer activities, suggesting that this compound could possess similar therapeutic properties.

Retrosynthesis analysis of Tert-butyl N-(7H-purin-6-yl)carbamate

  • Route#1

    Cas:309947-86-2
    Cas:309947-88-4
  • Route#2

    Cas:24424-99-5
    Cas:73-24-5
    Cas:309947-88-4