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1-(4-Fluoro-phenyl)-2-pyridin-4-yl-ethanone, commonly known as furylfentanyl, is a pyridine derivative with a molecular formula C14H10FNO. It features a pyridine ring, a ketone group, and a fluorine-substituted phenyl ring. This chemical compound is utilized as an intermediate in the synthesis of pharmaceuticals and organic compounds, playing a significant role in medicinal chemistry and chemical research. Due to its potential health hazards, it is crucial to handle and store this compound with appropriate precautions.

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  • 6576-05-2 Structure
  • Basic information

    1. Product Name: 1-(4-FLUORO-PHENYL)-2-PYRIDIN-4-YL-ETHANONE
    2. Synonyms: 4-FLUOROPHENYL-4-PYRIDYLMETHYL KETONE;AKOS 91212;1-(4-FLUORO-PHENYL)-2-PYRIDIN-4-YL-ETHANONE;4-fluorophenyl-4-pyridylmethyl;1-(4-fluorophenyl)-2-(pyridin-4-yl)ethan-1-one;Ethanone, 1-(4-fluorophenyl)-2-(4-pyridinyl)-;1-(4-FLUORO-PHENYL)-2-PYRIDIN-4-YL-ETHANONE(WXG03045)
    3. CAS NO:6576-05-2
    4. Molecular Formula: C13H10FNO
    5. Molecular Weight: 215.22
    6. EINECS: N/A
    7. Product Categories: pharmacetical;API intermediates
    8. Mol File: 6576-05-2.mol
  • Chemical Properties

    1. Melting Point: 94-97 °C
    2. Boiling Point: 362.6 °C at 760 mmHg
    3. Flash Point: 173.1 °C
    4. Appearance: /
    5. Density: 1.201 g/cm3
    6. Vapor Pressure: 1.91E-05mmHg at 25°C
    7. Refractive Index: 1.571
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 5.18±0.10(Predicted)
    11. CAS DataBase Reference: 1-(4-FLUORO-PHENYL)-2-PYRIDIN-4-YL-ETHANONE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-(4-FLUORO-PHENYL)-2-PYRIDIN-4-YL-ETHANONE(6576-05-2)
    13. EPA Substance Registry System: 1-(4-FLUORO-PHENYL)-2-PYRIDIN-4-YL-ETHANONE(6576-05-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 6576-05-2(Hazardous Substances Data)

6576-05-2 Usage

Uses

Used in Pharmaceutical Industry:
1-(4-Fluoro-phenyl)-2-pyridin-4-yl-ethanone is used as a chemical intermediate for the synthesis of various pharmaceuticals and organic compounds. Its unique structure, including the pyridine ring, ketone group, and fluorine-substituted phenyl ring, contributes to the development of new drugs and therapeutic agents.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 1-(4-Fluoro-phenyl)-2-pyridin-4-yl-ethanone serves as a valuable compound for research purposes. Its properties and reactivity allow scientists to explore its potential applications in drug discovery and design, as well as to understand its interactions with biological targets.
Used in Chemical Research:
1-(4-Fluoro-phenyl)-2-pyridin-4-yl-ethanone is also utilized in chemical research to study its properties, reactivity, and potential applications in various chemical processes. Its unique structure makes it an interesting subject for investigation, which can lead to the development of new synthetic methods and the discovery of novel compounds with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 6576-05-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,5,7 and 6 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 6576-05:
(6*6)+(5*5)+(4*7)+(3*6)+(2*0)+(1*5)=112
112 % 10 = 2
So 6576-05-2 is a valid CAS Registry Number.
InChI:InChI=1/C13H10FNO/c14-12-3-1-11(2-4-12)13(16)9-10-5-7-15-8-6-10/h1-8H,9H2

6576-05-2SDS

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 1-(4-fluorophenyl)-2-pyridin-4-ylethanone

1.2 Other means of identification

Product number -
Other names 1-(4-fluorophenyl)-2-(pyridine-4-yl)ethanone

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:6576-05-2 SDS

6576-05-2Relevant articles and documents

NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION

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Page/Page column 58; 85, (2021/06/04)

The present invention relates to compounds for the treatment of diseases related to DUX4 expression, such as muscular dystrophies. It also relates to use of such compounds, or to methods of use of such compounds.

THERAPEUTIC METHODS AND COMPOUNDS

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Page/Page column 20-22, (2020/11/03)

The invention provides a compound of formula I: (I) or a pharmaceutically acceptable salt thereof, wherein R1-R5 Y have any of the values described in the specification, as well as compositions comprising a compound of formula I. The compounds are useful to treat malaria.

Syntheses and structure-activity relationships for some triazolyl p38α MAPK inhibitors

Seerden, Jean-Paul G.,Leusink-Ionescu, Gabriela,Leguijt, Robin,Saccavini, Catherine,Gelens, Edith,Dros, Bas,Woudenberg-Vrenken, Titia,Molema, Grietje,Kamps, Jan A.A.M.,Kellogg, Richard M.

, p. 1352 - 1357 (2014/03/21)

The design, synthesis and biological evaluation of novel triazolyl p38α MAPK inhibitors with improved water solubility for formulation in cationic liposomes (SAINT-O-Somes) targeted at diseased endothelial cells is described. Water-solubilizing groups wer

Design and synthesis of minimalist terminal alkyne-containing diazirine photo-crosslinkers and their incorporation into kinase inhibitors for cell- and tissue-based proteome profiling

Li, Zhengqiu,Hao, Piliang,Li, Lin,Tan, Chelsea Y. J.,Cheng, Xiamin,Chen, Grace Y. J.,Sze, Siu Kwan,Shen, Han-Ming,Yao, Shao Q.

, p. 8551 - 8556 (2013/09/12)

Less is more: A minimalist "clickable" photo-crosslinker (see scheme) was incorporated with numerous small-molecule kinase inhibitors. The resulting probes were used for both in vitro (cell lysates) and in situ (live cells) proteome profiling, for large-scale identification of their potential cellular kinase targets and shows improved outcomes over previous probes. Copyright

Ligand-protein interactions of selective casein kinase 1δ inhibitors

Mente, Scot,Arnold, Eric,Butler, Todd,Chakrapani, Subramanyam,Chandrasekaran, Ramalakshmi,Cherry, Kevin,Dirico, Ken,Doran, Angela,Fisher, Katherine,Galatsis, Paul,Green, Michael,Hayward, Matthew,Humphrey, John,Knafels, John,Li, Jianke,Liu, Shenping,Marconi, Michael,McDonald, Scott,Ohren, Jeff,Paradis, Vanessa,Sneed, Blossom,Walton, Kevin,Wager, Travis

, p. 6819 - 6828 (2013/10/01)

Casein kinase 1δ (CK1δ) and 1ε (CK1ε) are believed to be necessary enzymes for the regulation of circadian rhythms in all mammals. On the basis of our previously published work demonstrating a CK1ε-preferring compound to be an ineffective circadian clock modulator, we have synthesized a series of pyrazole-substitued pyridine inhibitors, selective for the CK1δ isoform. Additionally, using structure-based drug design, we have been able to exploit differences in the hinge region between CK1δ and p38 to find selective inhibitors that have minimal p38 activity. The SAR, brain exposure, and the effect of these inhibitors on mouse circadian rhythms are described. The in vivo evaluation of these inhibitors demonstrates that selective inhibition of CK1δ at sufficient central exposure levels is capable of modulating circadian rhythms.

Regiocontrolled synthesis of 3- and 5-aminopyrazoles, pyrazolo[3,4-d] pyrimidines, pyrazolo[3,4-b]pyridines and pyrazolo[3,4-b]quinolinones as MAPK inhibitors

Bagley, Mark C.,Baashen, Mohammed,Paddock, Victoria L.,Kipling, David,Davis, Terence

, p. 8429 - 8438 (2013/09/02)

Microwave irradiation of a hydrazine and 3-methoxyacrylonitrile, ethoxymethylenemalononitrile or ethyl acetoacetate provides rapid access to 3- or 5-substituted pyrazoles in excellent yield and with total regiocontrol in a process that can be switched from one regioisomer to the other by choice of conditions. Subsequent reaction, either by microwave-assisted hydrolysis and cyclocondensation with formamide, Hantzsch-type three-component reaction with an aldehyde and ketone, or by cyclocondensation with 2-nitrobenzaldehyde, provides the pyrazolo[3,4-d]pyrimidine, pyrazolo[3,4-b]pyridine or pyrazolo[3,4-b] quinolin-4-one framework, respectively, of inhibitors of mitogen-activated protein kinases.

Chemical probes of a trisubstituted pyrrole to identify its protein target(s) in Plasmodium sporozoites

Towle, Tyrell,Chang, Isabel,Kerns, Robert J.,Bhanot, Purnima

supporting information, p. 1874 - 1877 (2013/04/10)

Malaria is a disease that has a major impact in many developing nations, especially on the African continent. There is a need to develop new therapeutics and prophylactic treatments against it. A trisubstituted pyrrole was recently found to inhibit infect

Identification of SD-0006, a potent diaryl pyrazole inhibitor of p38 MAP kinase

Walker, John K.,Selness, Shaun R.,Devraj, Rajesh V.,Hepperle, Michael E.,Naing, Win,Shieh, Huey,Kurambail, Ravi,Yang, Syaulan,Flynn, Daniel L.,Benson, Alan G.,Messing, Dean M.,Dice, Tom,Kim, Tina,Lindmark,Monahan, Joseph B.,Portanova, Joseph

scheme or table, p. 2634 - 2638 (2010/07/13)

Starting from an initial HTS screening lead, a novel series of C(5)-substituted diaryl pyrazoles were developed that showed potent inhibition of p38α kinase. Key to this outcome was the switch from a pyridyl to pyrimidine at the C(4)-position leading to analogs that were potent in human whole blood based cell assay as well as in a number of animal efficacy models for rheumatoid arthritis. Ultimately, we identified a clinical candidate from this substrate; SD-0006.

The application of flow microreactors to the preparation of a family of casein kinase i inhibitors

Venturoni, Francesco,Nikbin, Nikzad,Ley, Steven V.,Baxendale, Ian R.

experimental part, p. 1798 - 1806 (2010/08/07)

In this article we demonstrate how a combination of enabling technologies such as flow synthesis, solid-supported reagents and scavenging resins utilised under fully automated software control can assist in typical medicinal chemistry programmes. In particular automated continuous flow methods have greatly assisted in the optimisation of reaction conditions and facilitated scale up operations involving hazardous chemical materials. Overall a collection of twenty diverse analogues of a casein kinase I inhibitor has been synthesised by changing three principle binding vectors.

Pyridinylquinoxalines and pyridinylpyridopyrazines as lead compounds for novel p38α mitogen-activated protein kinase inhibitors

Koch, Pierre,Jahns, Hartmut,Schattel, Verena,Goettert, Marcia,Laufer, Stefan

supporting information; experimental part, p. 1128 - 1137 (2010/08/05)

Various substituted 2(3)-(4-fluorophenyl)-3(2)-(pyridin-4-yl)quinoxalines and 2(3)-(4-fluorophenyl)-3(2)-(pyridin-4-yl)pyridopyrazines were synthesized as novel p38α MAP kinase inhibitors via different short synthetic strategies with high variation possibilities. The formation of the quinoxaline/ pyridopyrazine core was achieved from α-diketones and o-phenylenediamines/ α-diaminopyridines under microwave irradiation. Introduction of an amino moiety at the pyridine C2 position of the 2(3)-(4-fluorophenyl)-3(2)-(pyridin-4- yl)quinoxalines led to compounds showing potent enzyme inhibition down to the double-digit nanomolar range (6f; IC50 = 81 nM). Replacement of the quinoxaline core with pyrido[2,3-b]pyrazine gave compound 9e with superior p38α MAP kinase inhibition (IC50= 38 nM).

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