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18619-97-1

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18619-97-1 Usage

General Description

ETHYL 3-CYANO-2-HYDROXY-6-METHYLISONICOTINATE is a chemical compound with the molecular formula C12H11N2O3. It is a derivative of isonicotinic acid and contains both a cyano group and a hydroxyl group, as well as a methyl substituent. It is commonly used in the synthesis of various pharmaceuticals and agrochemicals due to its potential anti-inflammatory and antioxidant properties. ETHYL 3-CYANO-2-HYDROXY-6-METHYLISONICOTINATE has attracted attention due to its potential therapeutic applications, particularly in the treatment of inflammatory conditions and oxidative stress-related diseases. Additionally, it has shown potential in the field of drug design and discovery, making it a significant compound in pharmaceutical research and development.

Check Digit Verification of cas no

The CAS Registry Mumber 18619-97-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,8,6,1 and 9 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 18619-97:
(7*1)+(6*8)+(5*6)+(4*1)+(3*9)+(2*9)+(1*7)=141
141 % 10 = 1
So 18619-97-1 is a valid CAS Registry Number.
InChI:InChI=1/C10H10N2O3/c1-3-15-10(14)7-4-6(2)12-9(13)8(7)5-11/h4H,3H2,1-2H3,(H,12,13)

18619-97-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 3-cyano-6-methyl-2-oxo-1H-pyridine-4-carboxylate

1.2 Other means of identification

Product number -
Other names 4-Pyridinecarboxylic acid, 3-cyano-1,2-dihydro-6-methyl-2-oxo-, ethyl ester

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:18619-97-1 SDS

18619-97-1Relevant articles and documents

3-Deoxy-3-fluoropyridoxamine 5'-phosphate: Synthesis and chemical and biological properties of a coenzyme B6 analog

Pieper,Yang,Zhou,Liu

, p. 1809 - 1817 (1997)

The C-3 deoxygenation of CDP-6-deoxy-L-threo-D-glycero-4-hexulose is the key step in the biosynthesis of ascarylose which is a 3,6-dideoxy sugar found in the lipopolysaccharide of Yersinia pseudotuberculosis. This transformation, achieved by the catalysis of CDP-6-deoxy-L-threo-D-glycero-4-hexulose-3-dehydrase (E1) and CDP-6-deoxy-L-threo-D-glycero-4-hexulose-3-dehydrase reductase (E3), is initiated by a reversible dehydration followed by a stepwise electron transfer from NADH to reduce the resulting glucoseen-PMP adduct. An organic radical intermediate has been detected by EPR during E1-E3 catalysis, and its characteristics are consistent with a phenoxyl radical. Its formation has been hypothesized to involve a tautomerization of the glucoseen-PMP intermediate to a PMP-quinone methide species, which then serves as the electron acceptor during the reduction. In order to gain further experimental evidence supporting this proposed mechanism, the title compound (F-PMP) was synthesized and tested for its competence as a cofactor for the E1-E3 reaction. Upon incubation with F-PMP, no C-3 deoxysugar product could be detected in the mixture. This result initially appeared to support the prediction that the 3-F substituent would prevent the tautomerization and thus inhibit the subsequent reduction. However, further analysis showed that the catalysis was actually arrested at the dehydration step since no 18O was incorporated at C-3 of the recovered substrate when the reaction was conducted in [18O]H2O, and no tritium was released when [4-3H]F-PMP replaced PMP in the incubation. Interestingly, the pK(a) of the ring nitrogen (N-1) of F-PMP was found to be 2.91, a value drastically altered from the 8.74 of PMP itself. Since the catalytic role of B6 coenzymes is to act as an electron sink, storing the electrons that are later used for the cleavage and/or formation of covalent bonds, protonation at N-1 is clearly essential, as it allows the formation of a salt bridge/hydrogen bond with an active site aspartate residue and also enhances the electron-withdrawing capability of the pyridine ring. Because F-PMP is not expected to exist in the pyridinium form at neutral pH, its ability to promote 4'-H abstraction is hampered since the resulting anion cannot be delocalized by the cofactor. Although incubation of E1-E3 with this new coenzyme B6 analog fails to provide additional support for the mechanism of this unique deoxygenation process, the results reported herein, along with those deduced from studies of other 3-substituted PLP derivatives, illustrate the importance of having an intact 3-OH group of the coenzyme in PLP/PMP dependent catalysis.

Discovery and optimization of N-(3-(1,3-dioxo-2,3-dihydro-1H-pyrrolo[3,4-c] pyridin-4-yloxy)phenyl)benzenesulfonamides as novel GPR119 agonists

Yu, Ming,Zhang, Jian,Wang, Yingcai,Zhu, Jiang,Kayser, Frank,Medina, Julio C.,Siegler, Karen,Conn, Marion,Shan, Bei,Grillo, Mark P.,Coward, Peter,Liu, Jiwen

, p. 156 - 160 (2014/01/17)

The discovery and optimization of novel N-(3-(1,3-dioxo-2,3-dihydro-1H- pyrrolo[3,4-c]pyridin-4-yloxy)phenyl)benzenesulfonamide GPR119 agonists is described. Modification of the pyridylphthalimide motif of the molecule with R1 =-Me and R2 =-iPr substituents, incorporated with a 6-fluoro substitution on the central phenyl ring offered a potent and metabolically stable tool compound 22.

Construction and functionalization of fused pyridine ring leading to novel compounds as potential antitubercular agents

Dulla, Balakrishna,Wan, Baojie,Franzblau, Scott G.,Kapavarapu, Ravikumar,Reiser, Oliver,Iqbal, Javed,Pal, Manojit

supporting information; experimental part, p. 4629 - 4635 (2012/07/31)

A series of fused and functionalized pyridine derivatives were designed, synthesized and tested for their potential antitubercular properties. All these novel compounds were prepared by using multistep methods involving the construction of pyridine ring as a key synthetic step. Some of these compounds were found to be interesting when tested for their antitubercular properties in vitro and one of them appeared as an attractive and potential antitubercular agent.

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