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Ethyl 3-(3-aminophenyl)acrylate is a chemical compound with the molecular formula C13H13NO3. It is a yellow crystalline solid that serves as an intermediate for the synthesis of various pharmaceuticals and organic compounds. Known for its ability to undergo esterification, amidation, and cross-coupling reactions, this versatile building block is instrumental in the production of complex organic molecules. Its interesting biological properties also make it a potential candidate for drug development. However, due to potential health and safety risks, careful handling is required.

58186-45-1

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58186-45-1 Usage

Uses

Used in Pharmaceutical Industry:
Ethyl 3-(3-aminophenyl)acrylate is used as a chemical intermediate for the synthesis of various pharmaceuticals due to its ability to participate in multiple chemical reactions, facilitating the creation of complex organic molecules that can be utilized in medicinal chemistry.
Used in Organic Chemistry:
In the field of organic chemistry, Ethyl 3-(3-aminophenyl)acrylate is used as a versatile building block for the production of complex organic molecules, owing to its capacity to undergo esterification, amidation, and cross-coupling reactions, which are fundamental in organic synthesis.
Used in Drug Development:
Ethyl 3-(3-aminophenyl)acrylate is used as a potential candidate for drug development because of its interesting biological properties, which may contribute to the discovery of new therapeutic agents.
Used in Research and Development:
In research and development settings, Ethyl 3-(3-aminophenyl)acrylate is utilized for exploring its chemical reactivity and potential applications in creating new compounds with specific properties for various industries, including but not limited to pharmaceuticals, materials science, and chemical engineering.

Check Digit Verification of cas no

The CAS Registry Mumber 58186-45-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,8,1,8 and 6 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 58186-45:
(7*5)+(6*8)+(5*1)+(4*8)+(3*6)+(2*4)+(1*5)=151
151 % 10 = 1
So 58186-45-1 is a valid CAS Registry Number.

58186-45-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(3-amino-phenyl)-acrylic acid methyl ester

1.2 Other means of identification

Product number -
Other names (E)-Ethyl 3-(3-aminophenyl)acrylate

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:58186-45-1 SDS

58186-45-1Relevant academic research and scientific papers

4-Acyl Pyrrole Capped HDAC Inhibitors: A New Scaffold for Hybrid Inhibitors of BET Proteins and Histone Deacetylases as Antileukemia Drug Leads

Ahlert, Heinz,Bhatia, Sanil,Borkhardt, Arndt,Breit, Bernhard,Gunther, Stefan,Hansen, Finn K.,Hugle, Martin,Kraft, Fabian B.,Mishra, Pankaj,Schaker-Hubner, Linda,Schliehe-Diecks, Julian,Scholer, Andrea,Warstat, Robin

, p. 14620 - 14646 (2021/10/20)

Multitarget drugs are an emerging alternative to combination therapies. In three iterative cycles of design, synthesis, and biological evaluation, we developed a novel type of potent hybrid inhibitors of bromodomain, and extra-terminal (BET) proteins and histone deacetylases (HDACs) based on the BET inhibitor XD14 and well-established HDAC inhibitors. The most promising new hybrids, 49 and 61, displayed submicromolar inhibitory activity against HDAC1-3 and 6, and BRD4(1), and possess potent antileukemia activity. 49 induced apoptosis more effectively than the combination of ricolinostat and birabresib (1:1). The most balanced dual inhibitor, 61, induced significantly more apoptosis than the related control compounds 62 (no BRD4(1) affinity) and 63 (no HDAC inhibition) as well as the 1:1 combination of both. Additionally, 61 was well tolerated in an in vivo zebrafish toxicity model. Overall, our data suggest an advantage of dual HDAC/BET inhibitors over the combination of two single targeted compounds.

Synthesis of 2-(N-cyclicamino)quinoline combined with methyl (E)-3-(2/3/4-aminophenyl)acrylates as potential antiparasitic agents

Bokosi, Fostino R. B.,Beteck, Richard M.,Laming, Dustin,Hoppe, Heinrich C.,Tshiwawa, Tendamudzimu,Khanye, Setshaba D.

, (2021/03/16)

A rationally designed series of 2-(N-cyclicamino)quinolines coupled with methyl (E)-3-(2/3/4-aminophenyl)acrylates was synthesized and subjected to in vitro screening bioassays for potential antiplasmodial and antitrypanosomal activities against a chloroquine-sensitive (3D7) strain of Plasmodium falciparum and nagana Trypanosoma brucei brucei 427, respectively. Substituent effects on activity were evaluated; meta-acrylate 24 and the ortho-acrylate 29 exhibited the highest antiplasmodial (IC50 = 1.4 μM) and antitrypanosomal (IC50 = 10.4 μM) activities, respectively. The activity against HeLa cells showed that the synthesized analogs are not cytotoxic at the maximum tested concentration. The ADME (absorption, distribution, metabolism, and excretion) drug-like properties of the synthesized compounds were predicted through the SwissADME software.

SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS

-

, (2020/08/28)

Disclosed are compounds of Formula (I): or a stereoisomer, a tautomer, or a pharmaceutically acceptable salt or solvate thereof, wherein Q is: (i) halo, cyano, hydroxyl, NRxRx, C(O)OH, C(O)NH2, C1-6 alkyl substituted with zero to 6 R1a, or P(O)R1cR1c; or (ii) L R1; and A, X1, X2, X3, X4, Z1, Z2, R1, R1a, R1c, R2, R3a, R3b, Rx, L, a, b, and d are defined herein. Also disclosed are methods of using these compounds to modulate the activity of farnesoid X receptor (FXR); pharmaceutical compositions comprising these compounds; and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS

-

, (2020/08/28)

Disclosed are compounds of Formula (I) or a stereoisomer, a tautomer, or a pharmaceutically acceptable salt or solvate thereof, wherein Q is a 5-membered heterocyclyl or 5-membered heteroaryl having 1 to 4 heteroatoms independently selected from N, O, and S, substituted with zero to 4 R1; and A, X1, X2, X3, X4, Z1, Z2, R1, R2, R3a, R3b, a, b, and d are defined herein. Also disclosed are methods of using these compounds to modulate the activity of farnesoid X receptor (FXR); pharmaceutical compositions comprising these compounds; and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

SOLID STATE FORMS OF (2E)-N-HYDROXY-3-[3-(PHENYLSULFAMOYL)PHENYL]PROP-2-ENAMIDE AND PROCESS FOR PREPARATION THEREOF

-

, (2018/03/06)

The Present invention relates to solid state forms of (2E)-N-hydroxy-3-[3-(N-phenyl sulfamoyl)phenyl]prop-2-enamide represented by the following structural formula-1 and process for the preparation thereof.

Synthesis and applications of novel FXR agonists

-

Paragraph 0007; 0013, (2017/04/28)

The present invention relates to the field of chemical drugs, and discloses a synthesis strategy of novel FXR agonists such as Fex-3 and Fex-4. According to the present invention, the steps of the synthesis strategy are simple, the total yield is high, th

FARNESOID X RECEPTOR AGONISTS AND USES THEREOF

-

Paragraph 00393, (2017/04/11)

Described herein are compounds that are farnesoid X receptor agonists, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with farnesoid X receptor activity.

A novel intestinal-restricted FXR agonist

Wang, Hong,Zhao, Zhou,Zhou, Jiyu,Guo, Yitong,Wang, Guangji,Hao, Haiping,Xu, Xiaowei

supporting information, p. 3386 - 3390 (2017/07/07)

In this study, a new intestinal-restricted FXR agonist named fexaramine-3 (Fex-3) was developed and investigated both in vitro and in vivo. Fex-3 could selectively activate intestinal FXR and promote the expression of BSEP and SHP while suppressing CYP7A1 which is involved in bile acids syntheses better than the reported intestinal-restricted FXR agonist fexaramine (Fex). We demonstrated that Fex-3 targeted on FXR in ileum and has better selectivity than Fex. And the study of utilizing Fex-3 to reduce obesity was undergoing.

FARNESOID X RECEPTOR AGONISTS AND USES THEREOF

-

Paragraph 00408, (2017/04/11)

Described herein are compounds that are farnesoid X receptor agonists, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with farnesoid X receptor activity.

Pd0.09Ce0.91O2-Δ: A sustainable ionic solid-solution precatalyst for heterogeneous, ligand free Heck coupling reactions

Mpungose, Philani P.,Sehloko, Neo I.,Dasireddy, Venkata D.B.C.,Mahadevaiah, Narayanappa,Maguire, Glenn E.,Friedrich, Holger B.

, p. 60 - 68 (2017/11/15)

A quick and easy method for the preparation of Pd2+ metal ion substituted in ceria, Pd0.09Ce0.91O2-δ solid solution oxide, is described. The Pd0.09Ce0.91O2-δ solid solution oxide was fully characterized by XRD, ICP-OES, BET, XPS, SEM, EDX, TEM, TGA and Raman spectroscopy. All characterization techniques strongly suggested that Pd2+ was successfully incorporated into the lattice structure of ceria. The effect of the reaction conditions on the catalytic properties of the Pd0.09Ce0.91O2-δ solid solution catalyst initially was studied in detail with the model Heck reaction of iodobenzene and methylacrylate to obtain optimum reaction conditions. The Pd0.09Ce0.91O2-δ solid solution catalyst then afforded substituted alkenes in good to excellent yields under these optimum reaction conditions. Steric and electronic effects were also studied, and were found to influence the catalytic activity. Characterization of the used catalyst suggests that Pd2+ in Pd0.09Ce0.91O2-δ is reduced in situ to Pd0 when employed in the Heck cross-coupling reactions. The catalyst was easily recovered by centrifuge and reused three times without significant loss of catalytic efficiency.

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