structure of Methyl 2-(2-aminobenzo[d]thiazol-6-yl)acetate

Methyl 2-(2-aminobenzo[d]thiazol-6-yl)acetate

CAS No.: 99738-99-5
M. Wt: 222.26400
M. Fa: C10H10N2O2S
InChI Key: JUQTXFOOTWCSRK-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 99738-99-5

CAS Number

99738-99-5

MDL Number

MFCD18643368

IUPAC Name

methyl 2-(2-amino-1,3-benzothiazol-6-yl)acetate

InChI

InChI=1S/C10H10N2O2S/c1-14-9(13)5-6-2-3-7-8(4-6)15-10(11)12-7/h2-4H,5H2,1H3,(H2,11,12)

InChIKey

JUQTXFOOTWCSRK-UHFFFAOYSA-N

Canonical SMILES

COC(=O)CC1=CC2=C(C=C1)N=C(S2)N

UNSPSC Code

12352100

Physical and chemical properties of 99738-99-5

Boiling Point

386.219°C at 760 mmHg

Density

1.378g/cm3

Exact Mass

222.04600

Flash Point

187.379°C

LogP

2.17520

Molecular Formula

C10H10N2O2S

Molecular Weight

222.26400

PSA

93.45000

Storage condition

under inert gas (nitrogen or Argon) at 2–8 °C

Safety Information of 99738-99-5

Pictograms

Signal Word

 Warning

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

Applications of 99738-99-5

Methyl 2-(2-aminobenzo[d]thiazol-6-yl)acetate has potential applications in:

  • Pharmaceuticals: As a building block for developing new drugs targeting antimicrobial and anticancer activities.
  • Agricultural Chemicals: Its derivatives may serve as effective agrochemicals due to their biological activity against pests and pathogens.
  • Material Science: The compound may be used in developing novel materials with specific electronic or optical properties.

Interaction Studies of 99738-99-5

Interaction studies involving methyl 2-(2-aminobenzo[d]thiazol-6-yl)acetate focus on its binding affinities with various biological targets. These studies often utilize techniques such as:

  • Molecular Docking: To predict how well the compound binds to specific receptors or enzymes.
  • In Vitro Assays: To evaluate the biological activity against specific cell lines or microbial strains.
  • Pharmacokinetic Studies: To assess absorption, distribution, metabolism, and excretion profiles, which are crucial for drug development.

Biological Activity of 99738-99-5

The benzo[d]thiazole scaffold has been extensively studied for its biological properties. Methyl 2-(2-aminobenzo[d]thiazol-6-yl)acetate exhibits significant biological activities, including:

  • Antimicrobial Activity: Compounds with similar structures have shown effectiveness against various bacterial strains.
  • Antitumor Properties: Some derivatives of benzo[d]thiazole have been investigated for their potential in cancer treatment due to their ability to inhibit tumor cell growth.
  • Neuroprotective Effects: Research indicates that certain benzothiazole derivatives may protect neurons from oxidative stress and neurodegeneration.

Physical sample testing spectrum (NMR) of 99738-99-5

Physical sample testing spectrum (NMR) of 99738-99-5

Retrosynthesis analysis of 99738-99-5

  • Route#1

    Cas:67-56-1
    Cas:30132-15-1
    Cas:99738-99-5