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3-OXO-3-PYRIDIN-4-YL-PROPIONIC ACID METHYL ESTER is a chemical compound characterized by the molecular formula C10H11NO3. It is an ester of 3-oxo-3-pyridin-4-yl-propionic acid, a derivative of pyridine, known for its diverse biological activities and its role as a precursor in the synthesis of pharmaceutical drugs.

829-45-8

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829-45-8 Usage

Uses

Used in Pharmaceutical Industry:
3-OXO-3-PYRIDIN-4-YL-PROPIONIC ACID METHYL ESTER is used as a precursor for the synthesis of various pharmaceutical drugs, leveraging its chemical properties to contribute to the development of new medications.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 3-OXO-3-PYRIDIN-4-YL-PROPIONIC ACID METHYL ESTER is utilized for the development of new therapeutic agents, capitalizing on its potential to enhance the properties of existing drugs or create novel compounds with improved efficacy.
Used in Anti-inflammatory Applications:
3-OXO-3-PYRIDIN-4-YL-PROPIONIC ACID METHYL ESTER is employed as an anti-inflammatory agent, contributing to the reduction of inflammation and related symptoms, which is crucial for the treatment of various inflammatory conditions.
Used in Analgesic Development:
As an analgesic, 3-OXO-3-PYRIDIN-4-YL-PROPIONIC ACID METHYL ESTER is used for the development of pain-relieving drugs, aiming to alleviate acute and chronic pain conditions effectively.
Used in Antipyretic Formulations:
3-OXO-3-PYRIDIN-4-YL-PROPIONIC ACID METHYL ESTER is also used in the creation of antipyretic drugs, helping to reduce fever and associated discomforts, which is essential in managing conditions characterized by elevated body temperature.
It is important to handle 3-OXO-3-PYRIDIN-4-YL-PROPIONIC ACID METHYL ESTER with care due to its potential hazards to health and the environment if not properly managed and utilized.

Check Digit Verification of cas no

The CAS Registry Mumber 829-45-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,2 and 9 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 829-45:
(5*8)+(4*2)+(3*9)+(2*4)+(1*5)=88
88 % 10 = 8
So 829-45-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H9NO3/c1-13-9(12)6-8(11)7-2-4-10-5-3-7/h2-5H,6H2,1H3

829-45-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 3-(4-Pyridyl)-3-oxopropanoate

1.2 Other means of identification

Product number -
Other names methyl 3-oxo-3-pyridin-4-ylpropanoate

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

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:829-45-8 SDS

829-45-8Relevant academic research and scientific papers

PHOSPHORUS-CONTAINING PRODRUGS OF GEMCITABINE

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Page/Page column 25, (2020/01/24)

This invention relates to phosphorus-containing prodrugs of gemcitabine and their use in the treatment of cancer and viral infectious diseases. Compared with the parent drug (i.e., Gemcitabine), the prodrugs of present invention show a significant overall

The guareschi pyridine scaffold as a valuable platform for the identification of selective PI3K inhibitors

Galli, Ubaldina,Ciraolo, Elisa,Massarotti, Alberto,Margaria, Jean Piero,Sorba, Giovanni,Hirsch, Emilio,Tron, Gian Cesare

supporting information, p. 17275 - 17287 (2015/12/01)

A novel series of 4-aryl-3-cyano-2-(3-hydroxyphenyl)-6-morpholino-pyridines have been designed as potential phosphatidylinositol-3-kinase (PI3K) inhibitors. The compounds have been synthesized using the Guareschi reaction to prepare the key 4-aryl- 3-cyano-2,6-dihydroxypyridine intermediate. A different selectivity according to the nature of the aryl group has been observed. Compound 9b is a selective inhibitor against the PI3Kα isoform, maintaining a good inhibitory activity. Docking studies were also performed in order to rationalize its profile of selectivity.

Palladium catalyzed cyclizations of oxime esters with 1,1-disubstituted alkenes: Synthesis of α,α-disubstituted dihydropyrroles and studies towards an asymmetric protocol

Faulkner, Adele,Scott, James S.,Bower, John F.

supporting information, p. 1521 - 1523 (2013/03/13)

We report efficient Pd-catalyzed cyclizations of oxime esters with 1,1-disubstituted alkenes as the basis of a general entry to α,α-disubstituted pyrrolidine derivatives. We also demonstrate that catalytic asymmetric variants of this chemistry are feasible by employing a suitable chiral ligand. The Royal Society of Chemistry 2013.

Structure-based design of novel class II c-Met inhibitors: 2. SAR and kinase selectivity profiles of the pyrazolone series

Liu, Longbin,Norman, Mark H.,Lee, Matthew,Xi, Ning,Siegmund, Aaron,Boezio, Alessandro A.,Booker, Shon,Choquette, Debbie,D'Angelo, Noel D.,Germain, Julie,Yang, Kevin,Yang, Yajing,Zhang, Yihong,Bellon, Steven F.,Whittington, Douglas A.,Harmange, Jean-Christophe,Dominguez, Celia,Kim, Tae-Seong,Dussault, Isabelle

scheme or table, p. 1868 - 1897 (2012/05/04)

As part of our effort toward developing an effective therapeutic agent for c-Met-dependent tumors, a pyrazolone-based class II c-Met inhibitor, N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)-3-fluorophenyl)-1,5-dimethyl-3-oxo-2- phenyl-2,3-dihydro-1H-pyrazole-4-c

PROCESS FOR THE PREPARATION OF 3-(4-PYRIDINYL)-PROPANOL AND INTERMEDIATES USEFUL IN ITS SYNTHESIS

-

, (2011/11/30)

A process for the preparation of 3-(4-pyridinyl)-propanol or a salt thereof and intermediates useful in its synthesis.

Preparation and evaluation of trisubstituted pyrimidines as phosphatidylinositol 3-kinase inhibitors. 3-Hydroxyphenol analogues and bioisosteric replacements

Large, Jonathan M.,Torr, Jane E.,Raynaud, Florence I.,Clarke, Paul A.,Hayes, Angela,Stefano, Francesca Di,Urban, Frederique,Shuttleworth, Stephen J.,Saghir, Nahid,Sheldrake, Peter,Workman, Paul,McDonald, Edward

scheme or table, p. 836 - 851 (2011/03/19)

Two classes of trisubstituted pyrimidines related to PI-103 1 have been prepared and their inhibitory activities against phosphatidylinositol 3-kinase (PI3K) p110α were determined. From those with direct 6-aryl substitution compound 11a was the most potent inhibitor with an IC50 value of 62 nM, and showed similar activity against other class 1a PI3K isoforms tested, p110β and p110γ. When a linking chain was introduced, as in the second exemplified class, compound 15f inhibited p110α with IC 50 142 nM, and showed greater selectivity towards p110α. Compounds of both classes showed promising inhibition of cellular proliferation in IGROV-1 ovarian cancer cells. Among compounds designed to replace the 3-phenolic motif with structural isosteres, analogues incorporating a 4-indazolyl group possessed enzyme and cellular activities comparable to the parent phenols.

NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES

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Page/Page column 109, (2008/06/13)

Novel 2'-C-methyl nucleoside 5 '-monophosphate and 4'-C-methyl nucleoside 5'- monophosphate derivatives, stereoisomers, and pharmaceutically acceptable salts or prodrugs thereof, their preparation, and their uses for the treatment of hepatitis C viral inf

Novel 2'-C-methyl nucleoside derivatives

-

Page/Page column 40, (2008/06/13)

Compounds of Formula I, stereoisomers, and pharmaceutically acceptable salts or prodrugs thereof, their preparation, and their uses for the treatment of hepatitis C viral infection are described:

Novel cytarabine monophosphate prodrugs

-

Page/Page column 15, (2008/06/13)

Compounds of Formula I, their preparation and uses are described: wherein: M and V are cis to one another and MH is cytarabine; the 5′ oxygen of said cytarabine is attached to the phosphorus; V is 4-pyridyl; and pharmaceutically acceptable prodrugs and salts thereof.

Acidity and tautomerism of β-keto esters and amides in aqueous solution

Bunting, John W.,Kanter, James P.

, p. 11705 - 11715 (2007/10/02)

The pH-rate profiles for the keto-enol tautomerization of 17 β-keto esters and amides (RCOCH2COX: R = methyl; phenyl; 2-, 3-, and 4-pyridyl; 3(and 4)-(N-methylpyridinio); X = OCH3, OC2H5, NH2, or N(CH3)2) have been measured by stopped-flow spectrophotometry in aqueous solution (ionic strength 0.1, 25 °C) over the range pH = 2-12. Analysis of these profiles gives the microscopic rate constants for ketonization and enolization of each of these species in these aqueous solutions. Analysis of the pH dependence of the buffer catalysis for the general-acid-catalyzed protonation of these enolate conjugate bases allowed the evaluation of paE for the deprotonation of each enol species. In combination with pKaeq, these data in turn allow the calculation of the acidities of the keto tautomers (pKaK) and the equilibrium constants for enolization (KE = [enol]/[keto] ). In all cases, both the keto and enol tautomers of the amides are more acidic than the corresponding ester derivatives. The equilibrium enol/keto ratios (KE) were found to decrease in the order: 2-pyridyl > 4-pyridyl > 3-pyridyl > 4-(N-methylpyridinio) > 3-(N-methylpyridinio) > methyl ≈ phenyl for both β-keto esters and amides. A simple linear correlation between pKaE and pKaKwas observed for these series of β-keto esters and amides. Bronsted plots of second-order rate constants for deprotonation of the keto tautomer as a function of keto tautomer acidity were found to be linear, with a values in the range 0.37-0.54 for hydroxide ion, acetate ion, and several amine bases. However, the "water-catalyzed" reaction is unusual with Br?nsted α = -0.17. This α value is only readily explicable in terms of a combined general acid + general base catalysis involving two water molecules for the equilibration of the keto tautomer and the neutral enol species.

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