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1374639-77-6

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1374639-77-6 Usage

General Description

"(2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanol" is a chemical compound with complex structure. It is derived from the pyrrolopyrimidine group of compounds, a class of molecules containing a system of two fused rings, a pyrrole ring and a pyrimidine ring. The compound also contains a methanol group which is an alcohol function and an atom of chlorine. It also contains a cyclopentyl group, a cyclic hydrocarbon ring of 5 carbon atoms. This chemical could be typically used in research, as an intermediate in chemical synthesis or extraction, or could have potential applications in pharmaceutical development. However, specific information on the application, safety or toxicity of this specific compound might not be largely documented in existing literature due to its complex structure and potential usage only in specialized fields.

Check Digit Verification of cas no

The CAS Registry Mumber 1374639-77-6 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,7,4,6,3 and 9 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1374639-77:
(9*1)+(8*3)+(7*7)+(6*4)+(5*6)+(4*3)+(3*9)+(2*7)+(1*7)=196
196 % 10 = 6
So 1374639-77-6 is a valid CAS Registry Number.

1374639-77-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name (2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanol

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

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More Details:1374639-77-6 SDS

1374639-77-6Relevant articles and documents

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

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Paragraph 0109; 0112; 0113, (2019/02/09)

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.

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

Singaram, Kulathooran,Marimuthu, Dhamodaran,Baskaran, Selvakumar,Chinaga, Suresh K.,Shanmugarajan, Dhivya,Vadivel, Thangavel

, p. 703 - 712 (2018/02/27)

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.

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