structure of 7-chloro-N-o-tolylthiazolo[5,4-d]pyrimidin-2-amine

7-chloro-N-o-tolylthiazolo[5,4-d]pyrimidin-2-amine

CAS No.: 1000709-51-2
M. Wt: 276.74500
M. Fa: C12H9ClN4S
InChI Key: ADKHFPHHMLPJAD-UHFFFAOYSA-N

Names and Identifiers of 1000709-51-2

CAS Number

1000709-51-2

IUPAC Name

7-chloro-N-(2-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

InChI

InChI=1S/C12H9ClN4S/c1-7-4-2-3-5-8(7)16-12-17-9-10(13)14-6-15-11(9)18-12/h2-6H,1H3,(H,16,17)

InChIKey

ADKHFPHHMLPJAD-UHFFFAOYSA-N

Canonical SMILES

CC1=CC=CC=C1NC2=NC3=C(S2)N=CN=C3Cl

Physical and chemical properties of 1000709-51-2

Exact Mass

276.02400

LogP

3.86470

Molecular Formula

C12H9ClN4S

Molecular Weight

276.74500

PSA

78.94000

Applications of 1000709-51-2

7-Chloro-N-(o-tolyl)thiazolo[5,4-d]pyrimidin-2-amine has potential applications in several fields:

  • Medicinal Chemistry: Due to its biological activity, it may serve as a lead compound for developing new therapeutics targeting epigenetic regulators.
  • Research: It can be utilized in biochemical assays to study enzyme inhibition and other cellular processes.
  • Pharmaceutical Development: This compound could be a candidate for drug formulation aimed at treating cancers or other diseases linked to dysregulated gene expression.

Interaction Studies of 1000709-51-2

Interaction studies involving 7-chloro-N-(o-tolyl)thiazolo[5,4-d]pyrimidin-2-amine focus on its binding affinity and inhibitory effects on specific enzymes or receptors. These studies typically employ techniques such as:

  • Surface Plasmon Resonance: To measure real-time binding interactions.
  • Fluorescence Resonance Energy Transfer (FRET): To assess conformational changes upon binding.
  • Cell-based Assays: To evaluate biological effects in relevant cell lines.

Such studies are crucial for understanding the compound's mechanism of action and its potential therapeutic efficacy.

Biological Activity of 1000709-51-2

Research indicates that compounds within the thiazolo[5,4-d]pyrimidine class exhibit a range of biological activities. Specifically, 7-chloro-N-(o-tolyl)thiazolo[5,4-d]pyrimidin-2-amine has shown potential as an inhibitor in various biochemical pathways. Its structural features suggest possible interactions with enzymes or receptors involved in disease processes, particularly in cancer and inflammatory conditions.

Studies have highlighted its effectiveness against specific targets such as histone lysine-specific demethylase 1 (LSD1), which plays a critical role in epigenetic regulation and cancer progression.

Retrosynthesis analysis of 1000709-51-2

  • Route#1

    Cas:5413-85-4
    Cas:614-69-7
    Cas:1000709-51-2