structure of tert-Butyl 2-amino-3-carbamoyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate

tert-Butyl 2-amino-3-carbamoyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate

CAS No.: 1001020-08-1
M. Wt: 297.37300
M. Fa: C13H19N3O3S
InChI Key: RITBMKDFXNCZCM-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1001020-08-1

CAS Number

1001020-08-1

MDL Number

MFCD11108853

IUPAC Name

tert-butyl 2-amino-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

InChI

InChI=1S/C13H19N3O3S/c1-13(2,3)19-12(18)16-5-4-7-8(6-16)20-11(15)9(7)10(14)17/h4-6,15H2,1-3H3,(H2,14,17)

InChIKey

RITBMKDFXNCZCM-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)N

UNSPSC Code

12352100

Physical and chemical properties of 1001020-08-1

Exact Mass

297.11500

LogP

2.94180

Molecular Formula

C13H19N3O3S

Molecular Weight

297.37300

PSA

126.89000

Storage condition

2-8°C

Safety Information of 1001020-08-1

Pictograms

Signal Word

 Warning

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

Applications of 1001020-08-1

The applications of tert-butyl 2-amino-3-carbamoyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate span various fields:

  • Pharmaceutical Development: As a lead compound in drug discovery targeting infectious diseases or cancer.
  • Chemical Research: Serving as an intermediate in synthesizing more complex organic molecules.
  • Biochemical Studies: Investigating the mechanisms of action of similar compounds in biological systems.

These applications highlight the compound's significance in both practical and research contexts .

Interaction Studies of 1001020-08-1

Interaction studies involving tert-butyl 2-amino-3-carbamoyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate focus on its binding affinity with various biological targets. These studies may include:

  • Enzyme Inhibition Assays: Evaluating the compound's ability to inhibit specific enzymes related to disease pathways.
  • Receptor Binding Studies: Assessing interactions with cellular receptors that mediate physiological responses.

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

Physical sample testing spectrum (NMR) of 1001020-08-1

Physical sample testing spectrum (NMR) of 1001020-08-1

Retrosynthesis analysis of 1001020-08-1

  • Route#1

    Cas:107-91-5
    Cas:79099-07-3
    Cas:1001020-08-1