1211443-55-8

Basic information

• Product Name: Ribociclib intermediate
• Synonyms: Ribociclib intermediate;2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxaldehyde
• CAS NO: 1211443-55-8
• Molecular Formula: C₁₂H₁₂ClN₃O
• Molecular Weight: 249.7
• EINECS: -0
• Mol File: 1211443-55-8.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Ribociclib intermediate(CAS DataBase Reference)
• NIST Chemistry Reference: Ribociclib intermediate(1211443-55-8)
• EPA Substance Registry System: Ribociclib intermediate(1211443-55-8)

Safety Data

• Hazardous Substances Data: 1211443-55-8(Hazardous Substances Data)

Usage

Description

Ribociclib intermediate is a crucial compound in the synthesis of Ribociclib, a selective cyclin-dependent kinase 4/6 (CDK4/6) inhibitor. It is an essential component in the development of pharmaceuticals targeting the treatment of various cancers by inhibiting the activity of CDK4/6 proteins, which play a significant role in cell cycle regulation and cancer progression.

Uses

Used in Pharmaceutical Industry:
Ribociclib intermediate is used as a key intermediate for the synthesis of Ribociclib, a CDK4/6 inhibitor, for the treatment of various cancers. It is particularly effective in targeting breast cancer, as it helps in slowing down the progression of the disease by inhibiting the activity of CDK4/6 proteins, which are overactive in many cancer cells.
Additionally, Ribociclib intermediate may also be used in the development of other CDK inhibitors, which could have potential applications in the treatment of other types of cancer and diseases related to cell cycle dysregulation.
Used in Medicinal Chemistry Research:
Ribociclib intermediate serves as an important compound for research in medicinal chemistry, where it can be used to study the structure-activity relationships of CDK4/6 inhibitors and to develop new, more potent, and selective inhibitors for cancer treatment.
Furthermore, the intermediate may also be utilized in the design and synthesis of novel pyrrolo[2,3-d]pyrimidine-based compounds, which are considered significant in medicinal chemistry and material chemistry due to their diverse biological activities and potential applications in drug discovery.

Upstream product

• 1374639-77-6 (2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanol 

Relevant articles and documents

Molecular dynamics and biological evaluation of 2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine derivatives against breast cancer

Aim and Objective: Inspired by the impressive biological properties of pyrrolo[2,3-d]pyrimidine units, the objective of this study was to synthesize some new derivatives of heterocyclic compounds with different substituent's using solvent-free microwave irradiation conditions from readily available starting material. The synthesized compounds were screened for their in vitro anti-microbial, anti-oxidant, anti-cancer activities and theoretical molecular docking studies. Material and Methods: Structural elucidation of the synthesized compounds was determined on the basis of various spectroscopic methods. Synthesized compounds have been evaluated for their in vitro antimicrobial activity (MIC) against various microbial strains. After the primary screening, synthesised compounds are further studied for anti-oxidant activity using DPPH assay method, anticancer activity against MCF-7 cell line using MTT assay and molecular docking studies. Moreover, molecular dynamics and simulation was done for best compound using GROMACS. Results: A series of 2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine derivatives 6(a-f), 7(a-c) and 8(a-c) were synthesised using solvent-free microwave irradiation technique. Among all the synthesized compounds, compounds 6e (51.35 μg/mL) and 6f (60.14 μg/mL) showed better activity profile against MCF-7 cell line for breast cancer activity. Compounds 6f and 6d have shown potent antibacterial activity against most of the employed strains, especially against S. pneumoniae, B. cerus and S. aureus. Compound 7a (52.21 μg/mL) showed high potential activity for antioxidant using DPPH assay. Molecular docking study showed good binding of these compounds to the active site of ER-alpha with binding energy ranging from-7.12 kcal/mol to-1.21 kcal/mol. Furthermore, molecular dynamics and simulation was conducted for best pose interacted compound 6e with active site of protein to study its stability and behaviour in nanoscale. Conclusion: The present research work is intended for facile and efficient green synthesis of various biologically useful potent bio-active molecules from inexpensive and readily available starting substrates under mild reaction condition. These classes of synthesized various heterocyclic compounds holds a great importance to discover newer anti-microbial, anti-oxidant and anti-cancer drugs in future prospects. Further structural modification in these structures will be of interest and may result in compounds having a better therapeutic and biological activity. Hence, this efficient green synthetic protocol and biological results of newly synthesized heterocyclic derivatives are found to be interesting lead molecules for bioactivity in the near future. It could be considered for investigation of their mode of action and for further development.