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1-benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is a chemical compound with potential pharmaceutical applications. It is a derivative of quinoline and contains a benzyl group, a carbonyl group, and a carboxylic acid group. Its unique structure and potential medicinal properties make it a subject of interest in the field of pharmaceutical chemistry.

35975-86-1

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35975-86-1 Usage

Uses

Used in Pharmaceutical Industry:
1-benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is used as a therapeutic agent for its potential antimicrobial, anti-inflammatory, and antitumor properties. Research indicates that it may be effective in treating various diseases and conditions.
Used in Enzyme Inhibition:
1-benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is used as an inhibitor of certain enzymes, which can be beneficial in the development of drugs targeting specific biological processes.
Used in Biological Process Modulation:
1-benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is used to modulate biological processes, which can be useful in the treatment of various diseases and conditions by regulating specific pathways and mechanisms.

Check Digit Verification of cas no

The CAS Registry Mumber 35975-86-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,5,9,7 and 5 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 35975-86:
(7*3)+(6*5)+(5*9)+(4*7)+(3*5)+(2*8)+(1*6)=161
161 % 10 = 1
So 35975-86-1 is a valid CAS Registry Number.

35975-86-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-benzyl-4-oxoquinoline-3-carboxylic acid

1.2 Other means of identification

Product number -
Other names 1-benzyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acide

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:35975-86-1 SDS

35975-86-1Relevant academic research and scientific papers

Structural development of a type-1 ryanodine receptor (RyR1) Ca2+-release channel inhibitor guided by endoplasmic reticulum Ca2+ assay

Mori, Shuichi,Iinuma, Hiroto,Manaka, Noriaki,Ishigami-Yuasa, Mari,Murayama, Takashi,Nishijima, Yoshiaki,Sakurai, Akiko,Arai, Ryota,Kurebayashi, Nagomi,Sakurai, Takashi,Kagechika, Hiroyuki

, p. 837 - 848 (2019/07/12)

Type-1 ryanodine receptor (RyR1) is a calcium-release channel localized on sarcoplasmic reticulum (SR) of the skeletal muscle, and mediates muscle contraction by releasing Ca2+ from the SR. Genetic mutations of RyR1 are associated with skeletal muscle diseases such as malignant hyperthermia and central core diseases, in which over-activation of RyR1 causes leakage of Ca2+ from the SR. We recently developed an efficient high-throughput screening system based on the measurement of Ca2+ in endoplasmic reticulum, and used it to identify oxolinic acid (1) as a novel RyR1 channel inhibitor. Here, we designed and synthesized a series of quinolone derivatives based on 1 as a lead compound. Derivatives bearing a long alkyl chain at the nitrogen atom of the quinolone ring and having a suitable substituent at the 7-position of quinolone exhibited potent RyR1 channel-inhibitory activity. Among the synthesized compounds, 14h showed more potent activity than dantrolene, a known RyR1 inhibitor, and exhibited high RyR1 selectivity over RyR2 and RyR3. These compounds may be promising leads for clinically applicable RyR1 channel inhibitors.

Breaking and Making of Rings: A Method for the Preparation of 4-Quinolone-3-carboxylic Acid Amides and the Expensive Drug Ivacaftor

Vasudevan,Jachak, Gorakhnath R.,Reddy, D. Srinivasa

, p. 7433 - 7437 (2016/01/25)

A simple and convenient method to access 4-quinolone-3-carboxylic acid amides from indole-3-acetic acid amides through one-pot oxidative cleavage of the indole ring followed by condensation (Witkop-Winterfeldt type oxidation) was explored. The scope of the method was confirmed with more than 20 examples and was successfully applied to the synthesis of the drug Ivacaftor, the most expensive drug on the market.

AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE

-

, (2016/01/01)

The present invention provides a compound of formula I, a tautomer thereof, or a pharmaceutically acceptable salt or N-oxide thereof for use in the treatment or prevention of a cardiovascular disease or of an inflammatory disease or condition:

A PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS INTERMEDIATES

-

, (2014/09/03)

The present invention provides novel intermediates of ivacaftor and process for its preparation. The present invention also provides process for the preparation of ivacaftor and pharmaceutically acceptable salt thereof using novel intermediates.

Synthesis and pharmacological evaluation of analogues of benzyl quinolone carboxylic acid (BQCA) designed to bind irreversibly to an allosteric site of the M1 muscarinic acetylcholine receptor

Davie, Briana J.,Valant, Celine,White, Jonathan M.,Sexton, Patrick M.,Capuano, Ben,Christopoulos, Arthur,Scammells, Peter J.

, p. 5405 - 5418 (2014/07/08)

Activation of the M1 muscarinic acetylcholine receptor (mAChR) is a prospective treatment for alleviating cognitive decline experienced in central nervous system (CNS) disorders. Current therapeutics indiscriminately enhance the activity of the endogenous neurotransmitter ACh, leading to side effects. BQCA is a positive allosteric modulator and allosteric agonist at the M1 mAChR that has high subtype selectivity and is a promising template from which to generate higher affinity, more pharmacokinetically viable drug candidates. However, to efficiently guide rational drug design, the binding site of BQCA needs to be conclusively elucidated. We report the synthesis and pharmacological validation of BQCA analogues designed to bind irreversibly to the M1 mAChR. One analogue in particular, 11, can serve as a useful structural probe to confirm the location of the BQCA binding site; ideally, by co-crystallization with the M1 mAChR. Furthermore, this ligand may also be used as a pharmacological tool with a range of applications.

Parallel synthesis of N-biaryl quinolone carboxylic acids as selective M1 positive allosteric modulators

Yang, Feng V.,Shipe, William D.,Bunda, Jaime L.,Nolt, M. Brad,Wisnoski, David D.,Zhao, Zhijian,Barrow, James C.,Ray, William J.,Ma, Lei,Wittmann, Marion,Seager, Matthew A.,Koeplinger, Kenneth A.,Hartman, George D.,Lindsley, Craig W.

scheme or table, p. 531 - 536 (2010/04/05)

An iterative analog library synthesis approach was employed in the exploration of a quinolone carboxylic acid series of selective M1 positive allosteric modulators, and strategies for improving potency and plasma free fraction were identified.

Pharmacomodulations around the 4-oxo-1,4-dihydroquinoline-3-carboxamides, a class of potent CB2-selective cannabinoid receptor ligands: Consequences in receptor affinity and functionality

Stern, Eric,Muccioli, Giulio G.,Bosier, Barbara,Hamtiaux, Laurie,Millet, Régis,Poupaert, Jacques H.,Hénichart, Jean-Pierre,Depreux, Patrick,Goossens, Jean-Fran?ois,Lambert, Didier M.

, p. 5471 - 5484 (2008/03/17)

CB2 receptor selective ligands are becoming increasingly attractive drugs due to the potential role of this receptor in several physiopathological processes. Thus, the development of our previously described series of 4-oxo-1,4-dihydroquinoline-3-carboxamides was pursued with the aim to further characterize the structure-affinity and structure-functionality relationships of these derivatives. The influence of the side chain was investigated by synthesizing compounds bearing various carboxamido and keto substituents. On the other hand, the role of the quinoline central scaffold was studied by synthesizing several 6-, 7-, or 8-chloro-4-oxo-1,4-dihydroquinolines, as well as 4-oxo-1,4-dihydronaphthyridine and 4-oxo-1,4-dihydrocinnoline derivatives. The effect of these modifications on the affinity and functionality at the CB2 receptor was studied and allowed for the characterization of new selective CB2 receptor ligands.

Novel 4-oxo-1,4-dihydroquinoline-3-carboxamide derivatives as new CB 2 cannabinoid receptors agonists: Synthesis, pharmacological properties and molecular modeling

Stern, Eric,Muccioli, Giulio G.,Millet, Régis,Goossens, Jean-Fran?ois,Farce, Amaury,Chavatte, Philippe,Poupaert, Jacques H.,Lambert, Didier M.,Depreux, Patrick,Hénichart, Jean-Pierre

, p. 70 - 79 (2007/10/03)

Recent data indicated that the CB2 cannabinoid receptor constitutes an attractive drug target due to its potential functional role in several physiological and pathological processes. A set of 4-oxo-1,4- dihydroquinoline-3-carboxamide derivatives, characterized by the presence of some important structural requirements exhibited by other classes of cannabinoid ligands, such as an aliphatic or aromatic carboxamide group in position 3, and an alkyl or benzyl group in position 1, was synthesized and assayed to measure their respective affinity for both human CB1 and CB2 cannabinoid receptors. The results indicate that these 3-carboxamido-quinolones derivatives exhibited a CB2 receptor selectivity, particularly derivatives 28-30, and 32R. Moreover, in the [35S]-GTPγS binding assay, all the compounds behaved as CB2 receptor agonists. Molecular modeling studies showed that compound 30 interacts with the CB 2 receptor through a combination of hydrogen bond and aromatic/hydrophobic interactions. In conclusion, 4-oxo-1,4-dihydroquinoline-3- carboxamide derivatives constitute a new class of potent and selective CB 2 cannabinoid receptors agonists.

An efficient synthesis of N-alkyl-1,4-dihydro-4oxo-3-quinolinecarboxylic acid via 2-(2',2',2'-trichloro)ethylidene-3-oxo-3-(2''-chloro- phenyl)propionate

Sayyed,Panse,Bhawal,Deshmukh

, p. 2533 - 2540 (2007/10/03)

A clay catalyzed synthesis of 2-(2',2',2'-trichloro)ethylidene-3-oxo-3- (2-chlorophenyl)propionate (2) and its application for the preparation of various N-alkyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids (5a-e) has been described.

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