126085-91-4

Basic information

• Product Name: ETHYL 5-TRIBUTYLSTANNANYLISOXAZOLE-3-CARBOXYLATE
• Synonyms: ETHYL 5-TRIBUTYLSTANNANYLISOXAZOLE-3-CARBOXYLATE;Freeze at -20C;Ethyl 5-(tri-n-butylstannyl)isoxazole-3-carboxylate, 96%;3-(Ethoxycarbonyl)-5-(tributylstannyl)isoxazole, [3-(Ethoxycarbonyl)isoxazol-5-yl]tributylstannane;Ethyl 5-(tributylstannyl)isoxazol-3-carboxylate;5-(Tributylstannyl)isoxazole-3-carboxylic acid ethyl ester;ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate;Ethyl 5-(tributylstannyl)
• CAS NO: 126085-91-4
• Molecular Formula: C₁₈H₃₃NO₃Sn
• Molecular Weight: 430.16952
• Product Categories: Stannanes
• Mol File: 126085-91-4.mol
• Article Data: 9

Chemical Properties

• Melting Point: 78-79℃
• Boiling Point: 446.3 °C at 760 mmHg
• Flash Point: 93℃
• Appearance: /
• Density: 1.209 at 25 °C
• Vapor Pressure: 3.67E-08mmHg at 25°C
• Refractive Index: n20/D1.534
• PKA: -5.45±0.50(Predicted)
• Sensitive: Air & Moisture Sensitive
• CAS DataBase Reference: ETHYL 5-TRIBUTYLSTANNANYLISOXAZOLE-3-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 5-TRIBUTYLSTANNANYLISOXAZOLE-3-CARBOXYLATE(126085-91-4)
• EPA Substance Registry System: ETHYL 5-TRIBUTYLSTANNANYLISOXAZOLE-3-CARBOXYLATE(126085-91-4)

Safety Data

• Hazard Codes: T,N
• Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 36/37/39-45-60-61
• RIDADR: UN 2788 6.1 / PGIII
• WGK Germany: 3
• HazardClass: 6.1
• Hazardous Substances Data: 126085-91-4(Hazardous Substances Data)

Usage

General Description

ETHYL 5-TRIBUTYLSTANNANYLISOXAZOLE-3-CARBOXYLATE is a synthetic compound that belongs to the class of organometallic chemicals, incorporating elements such as tin (stannanyl) into its molecular structure. It is characterized by an isoxazole ring, which is a type of heterocyclic aromatic organic compound. An essential aspect of this chemical is its carboxylate group attached to the isoxazole ring, which essentially is a salt or ester of a carboxylic acid. The chemical's empirical formula reveals the presence of carbon, hydrogen, oxygen, tin and nitrogen atoms. However, specific details regarding its physical, chemical properties, toxicity, and uses are scarce in the available literature, potentially implying its use and study are predominantly within specialized scientific research contexts.

InChI:InChI=1/C6H6NO3.3C4H9.Sn/c1-2-9-6(8)5-3-4-10-7-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3;/rC18H33NO3Sn/c1-5-9-12-23(13-10-6-2,14-11-7-3)17-15-16(19-22-17)18(20)21-8-4/h15H,5-14H2,1-4H3

Upstream product

• 994-89-8 tributylethynyltin 
• 861135-87-7 chlorohydroxyimino-acetic acid ethyl ester 
• 95080-93-6 ethyl chlorooximidoacetate 
• 14337-43-0 ethyl 2-chloro-2-(hydroxyimino)acetate 

Downstream Products

• 1126636-56-3 ethyl 5-(2-fluorophenyl)isooxazole-3-carboxylate 
• 1330736-74-7 ethyl 5-(2,4-dihydroxy-5-isopropylphenyl)-3-(ethylcarbamoyl)-4,5'-biisoxazole-3'-carboxylate 
• 1914946-33-0 ethyl 5-bromoisoxazole-3-carboxylate 
• 1350915-31-9 ethyl 5-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(benzoyloxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)isoxazole-3-carboxylate 
• 745078-91-5 5-(3-(3-Hydroxy-propyl)-phenyl)-isoxazole-3-carboxylic Acid Ethyl Ester 
• 745078-71-1 ethyl 5-(3-((1E)-3-hydroxyprop-1-enyl)phenyl)isoxazole-3-carboxylate 
• 640290-92-2 5-(1-{4-[(S)-5-(Acetylamino-methyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl}-1,2,3,6-tetrahydro-pyridin-4-yl)-isoxazole-3-carboxylic acid ethyl ester 

Relevant articles and documents

ATF6 INHIBITORS AND USES THEREOF

Compounds as inhibitors of Activating Transcription Factor 6 (ATF6) are provided. The compounds may find use as therapeutic agents for the treatment of diseases or disorders mediated by ATF6 and may find particular use in the treatment of viral infections, neurodegenerative diseases, vascular diseases, or cancer.

Expeditious Lead Optimization of Isoxazole-Containing Influenza A Virus M2-S31N Inhibitors Using the Suzuki-Miyaura Cross-Coupling Reaction

The existence of multidrug-resistant influenza viruses, coupled with the continuously antigenic shift and antigenic drift of influenza viruses, necessitates the development of the next-generation of influenza antivirals. As the AM2-S31N mutant persists in more than 95% of current circulating influenza A viruses, targeting the AM2-S31N proton channel appears to be a logical and valid approach to combating drug resistance. Starting from compound 1, an isoxazole compound with potent AM2-S31N channel blockage and antiviral activity, in this study we report an expeditious synthetic strategy that allows us to promptly explore the structure-activity relationships of isoxazole-containing AM2-S31N inhibitors. Propelled by the convenient synthesis, the lead optimization effort yielded a number of potent antivirals with submicromolar efficacy against several human clinical isolates of influenza A viruses, including both oseltamivir-sensitive and -resistant strains.

ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LpxC INHIBITORS

This invention pertains generally to compounds of Formula I as described herein and compositions containing such compounds, as well as methods of using such compounds to treat bacterial infections. In certain aspects, the invention provides methods and co