structure of 2,4-Dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2,4-Dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

CAS No.: 1000578-08-4
M. Wt: 204.057
M. Fa: C7H7Cl2N3
InChI Key: IPSIICUFLIHDCA-UHFFFAOYSA-N

Names and Identifiers of 1000578-08-4

CAS Number

1000578-08-4

IUPAC Name

2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

InChI

InChI=1S/C7H7Cl2N3/c8-6-4-1-2-10-3-5(4)11-7(9)12-6/h10H,1-3H2

InChIKey

IPSIICUFLIHDCA-UHFFFAOYSA-N

Canonical SMILES

C1CNCC2=C1C(=NC(=N2)Cl)Cl

Physical and chemical properties of 1000578-08-4

Acidity coefficient

5.88±0.20(Predicted)

Boiling Point

354.0±42.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

203.001709

Flash Point

167.9±27.9 °C

Index of Refraction

1.584

LogP

0.34

Melting Point

>200°C (dec.)

Molecular Formula

C7H7Cl2N3

Molecular Weight

204.057

PSA

37.81000

Solubility

Methanol (Slightly), Water (Slightly)

Stability

Hygroscopic

Storage condition

2-8°C

Vapour Pressure

0.0±0.8 mmHg at 25°C

Safety Information of 1000578-08-4

Pictograms

Signal Word

 Warning

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

Applications of 1000578-08-4

The applications of 2,4-Dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine are diverse:

  • Pharmaceutical Development: It serves as an intermediate in the synthesis of various bioactive compounds and pharmaceuticals.
  • Chemical Research: Utilized as a catalyst or building block for more complex organic molecules.
  • Material Science: It has potential uses in producing specialized chemical products and materials due to its unique properties.

Interaction Studies of 1000578-08-4

Research indicates that 2,4-Dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine interacts primarily with PARP enzymes and components of the mTOR signaling pathway. These interactions suggest that it may enhance the efficacy of certain chemotherapeutic agents by promoting DNA damage accumulation in cancer cells. Furthermore, studies have shown that environmental factors such as storage conditions (ideally at 2-8°C) can influence its stability and efficacy.

Biological Activity of 1000578-08-4

2,4-Dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine exhibits significant biological activity, particularly as an inhibitor of poly(ADP-ribose) polymerase (PARP). By inhibiting PARP, the compound disrupts DNA repair mechanisms, leading to increased DNA damage and triggering apoptosis in cancer cells. Additionally, it interacts with key signaling pathways, notably the PI3K/Akt/mTOR pathway, which is crucial for cell growth and proliferation. This interaction suggests potential therapeutic applications in oncology.

Retrosynthesis analysis of 1000578-08-4

  • Route#1

    Cas:1059735-34-0
    Cas:1000578-08-4