1374639-76-5

Basic information

• Product Name: Lee011 intermediate
• Synonyms: Lee011 intermediate;3-(2-chloro-4-(cyclopentylamino)pyrimidin-5-yl)prop-2-yn-1-ol;2-Propyn-1-ol, 3-[2-chloro-4-(cyclopentylamino)-5-pyrimidinyl]-;3-[2-Chloro-4-(cyclopentylamino)-5-pyrimidinyl]-2-propyn-1-ol
• CAS NO: 1374639-76-5
• Molecular Formula: C₁₂H₁₄ClN₃O
• Molecular Weight: 251.71206
• EINECS: -0
• Mol File: 1374639-76-5.mol

Chemical Properties

• Boiling Point: 488.3±40.0 °C(Predicted)
• Appearance: /
• Density: 1.33±0.1 g/cm3(Predicted)
• PKA: 13.33±0.10(Predicted)
• CAS DataBase Reference: Lee011 intermediate(CAS DataBase Reference)
• NIST Chemistry Reference: Lee011 intermediate(1374639-76-5)
• EPA Substance Registry System: Lee011 intermediate(1374639-76-5)

Safety Data

• Hazardous Substances Data: 1374639-76-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Lee011 intermediate is used as a reagent for the preparation of salts of 7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide. Lee011 intermediate has potential applications in the development of new drugs, particularly those targeting various diseases and conditions.
The use of Lee011 intermediate in the pharmaceutical industry is primarily due to its ability to facilitate the synthesis of complex molecules with potential therapeutic properties. By acting as a reagent, it enables the creation of new drug candidates that can be further studied and developed for their efficacy and safety in treating specific medical conditions.

Upstream product

• 733039-20-8 5-bromo-2-chloro-N-cyclopentylaminopyrimidine-4-amine 
• 6175-54-8 hydroxy-1-propyne 
• 107-19-7 propargyl alcohol 
• 1003-03-8 Cyclopentamine 

Downstream Products

• 1374639-77-6 (2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanol 
• 1374639-78-7 N,N‐dimethyl‐7‐cyclopentyl‐2‐{[5‐(4-tert-butoxycarbonylpiperazin‐1‐yl)pyridin‐2‐yl]amino}‐7H‐pyrrolo[2,3‐d]pyrimidine‐6‐carboxamide 
• 1374639-75-4 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide succinate 

Relevant articles and documents

SUBSTITUTED PYRROLOPYRIMIDINE CDK INHIBITOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND USE THEREOF

The present invention belongs to the field of pharmaceutical chemistry, and relates to a substituted pyrrolopyrimidine CDK inhibitor, in particular to a compound as shown in formula I or a pharmaceutically acceptable salt or solvate thereof, as well as a preparation method thereof and a pharmaceutical composition thereof. The present invention also relates to the use of the compound and the pharmaceutical composition thereof in the preparation of a drug for treating diseases associated with CDK inhibition. The compound according to the present invention has a marked inhibitory effect on CDK, excellent drug absorption and significantly superior oral absorption effect.

A PROCESS FOR THE PREPARATION OF RIBOCICLIB AND ITS INTERMEDIATES

The present invention relates to a process for the preparation of ribociclib and its intermediates.

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.

SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF

This invention relates to (1) process of making 7-Cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide and salts thereof; (2) novel salt(s) of 7-Cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide; (3) pharmaceutical compositions comprising the same; and (4) methods of treatment using the same.