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4-Acetamidothiophenol is an organic compound with the chemical formula C8H8N2OS. It is a yellow powder known for its potential applications in various fields due to its unique chemical properties.

1126-81-4

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1126-81-4 Usage

Uses

Used in Pharmaceutical Research:
4-Acetamidothiophenol is used as a key compound in the study of mutagenic and analgesic activities of aniline derivatives. Its properties make it valuable for understanding the effects of these derivatives on genetic mutations and pain relief.
Used in Synthesis of Potential Hypotensive Agents:
In the field of medicinal chemistry, 4-Acetamidothiophenol is utilized in the synthesis of 1-[(3-Methylphenyl)piperazine-1-yl]-3-(thio(4-acetamido)phenyl]-propane, a compound with potential hypotensive (blood pressure-lowering) properties. This application highlights its importance in developing new treatments for hypertension.
Used in Molecular Lipophilicity Potentials Profiles:
4-Acetamidothiophenol also plays a role in creating molecular lipophilicity potentials profiles, which are essential for predicting the behavior of molecules in biological systems. This information is crucial for drug design and understanding how molecules interact with biological targets.

Check Digit Verification of cas no

The CAS Registry Mumber 1126-81-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,2 and 6 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1126-81:
(6*1)+(5*1)+(4*2)+(3*6)+(2*8)+(1*1)=54
54 % 10 = 4
So 1126-81-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H9NOS/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)/p-1

1126-81-4 Well-known Company Product Price

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  • (Code)Product description
  • CAS number
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  • Detail
  • Alfa Aesar

  • (B23932)  4-Acetamidothiophenol, 98% (dry wt.), water <5%   

  • 1126-81-4

  • 5g

  • 897.0CNY

  • Detail
  • Alfa Aesar

  • (B23932)  4-Acetamidothiophenol, 98% (dry wt.), water <5%   

  • 1126-81-4

  • 25g

  • 1463.0CNY

  • Detail
  • Alfa Aesar

  • (B23932)  4-Acetamidothiophenol, 98% (dry wt.), water <5%   

  • 1126-81-4

  • 100g

  • 3631.0CNY

  • Detail
  • Aldrich

  • (A8201)  4-Acetamidothiophenol  ≥90%

  • 1126-81-4

  • A8201-1G

  • 374.40CNY

  • Detail

1126-81-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Acetamidothiophenol

1.2 Other means of identification

Product number -
Other names 4'-Mercaptoacetanilide

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:1126-81-4 SDS

1126-81-4Relevant academic research and scientific papers

PEGylation of the peptide Bac7(1-35) reduces renal clearance while retaining antibacterial activity and bacterial cell penetration capacity

Benincasa, Monica,Zahariev, Sotir,Pelillo, Chiara,Milan, Annalisa,Gennaro, Renato,Scocchi, Marco

, p. 210 - 219 (2015)

The proline-rich antibacterial peptide Bac7(1-35) protects mice against Salmonella typhimurium infection, despite its rapid clearance. To overcome this problem the peptide was linked to a polyethylene glycol (PEG) molecule either via a cleavable ester bond or via a non-hydrolysable amide bond. Both the PEGylated conjugates retained most of the in vitro activity against S. typhimurium. In addition, the ester bond was cleaved in human serum or plasma, releasing a carboxymethyl derivative of Bac7(1-35) which accounts for a higher activity of this peptide with relative to the other, non-hydrolysable form. Both PEGylated peptides maintained the capacity of the unconjugated form to kill bacteria without permeabilizing the bacterial membranes, by penetrating into cells. They exploited the same transporter as unmodified Bac7(1-35), suggesting it has the capacity to internalize quite sizeable cargo if this is linked to Bac7 fragment. PEGylation allows the peptide to have a wide distribution in mice, and a slow renal clearance, indicating that this strategy would improve the bioavailability of Bac7, and in principle of other antimicrobial peptides. This can be an equally important issue to reducing cytotoxicity for therapeutic use of these antibacterials.

HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME

-

Paragraph 00159-00161, (2021/07/10)

The present disclosure provides heteroaryl compounds of Formula (I), processes for their preparation, pharmaceutical compositions containing them, and their use in the treatment of diseases and disorders, arising from or related to the programmed necrosis pathway.

Tozasertib Analogues as Inhibitors of Necroptotic Cell Death

Hofmans, Sam,Devisscher, Lars,Martens, Sofie,Van Rompaey, Dries,Goossens, Kenneth,Divert, Tatyana,Nerinckx, Wim,Takahashi, Nozomi,De Winter, Hans,Van Der Veken, Pieter,Goossens, Vera,Vandenabeele, Peter,Augustyns, Koen

, p. 1895 - 1920 (2018/03/21)

Receptor interacting protein kinase 1 (RIPK1) plays a crucial role in tumor necrosis factor (TNF)-induced necroptosis, suggesting that this pathway might be druggable. Most inhibitors of RIPK1 are classified as either type II or type III kinase inhibitors. This opened up some interesting perspectives for the discovery of novel inhibitors that target the active site of RIPK1. Tozasertib, a type I pan-aurora kinase (AurK) inhibitor, was found to show a very high affinity for RIPK1. Because tozasertib presents the typical structural elements of a type I kinase inhibitor, the development of structural analogues of tozasertib is a good starting point for identifying novel type I RIPK1 inhibitors. In this paper, we identified interesting inhibitors of mTNF-induced necroptosis with no significant effect on AurK A and B, resulting in no nuclear abnormalities as is the case for tozasertib. Compounds 71 and 72 outperformed tozasertib in an in vivo TNF-induced systemic inflammatory response syndrome (SIRS) mouse model.

SINGLE-STEP SYNTHESIS METHOD OF ARYL THIOL AND APPLICATION THEREOF

-

Paragraph 0032; 0033; 0063; 0067; 0069; 0070; 0073, (2017/09/02)

The present invention relates to a single-step synthesis method of aryl thiol, and more specifically, to a method of synthesizing aryl thiol in a single-step by making aryl halide react with alkane dithiol in the presence of a transition metal catalyst. According to the present invention, a single-step synthesis method using the transition metal catalyst, the synthesis method which is capable of synthesizing aryl thiol from aryl halide at a high yield, can be provided. Various aryl halides may be applied to the synthesis method. Further, the synthesis method has advantages that an easily usable reagent may be used, operations are simple, and reactions can be performed under mild conditions. In addition, the synthesized aryl thiol may be used in the synthesis of advanced molecules such as diaryl sulfides and benzothiophenes.COPYRIGHT KIPO 2017

Molecular stacking dependent phosphorescence-fluorescence dual emission in a single luminophore for self-recoverable mechanoconversion of multicolor luminescence

Wu, Hongwei,Hang, Cheng,Li, Xin,Yin, Liyuan,Zhu, Mingjie,Zhang, Jian,Zhou, Yunyun,?gren, Hans,Zhang, Qing,Zhu, Liangliang

supporting information, p. 2661 - 2664 (2017/03/09)

A self-recoverable mechanoconversion of multicolor luminescence was observed by crystallization-induced self-assembly. Such a self-assembly led to the formation of nanorods with different molecular stacking modes, thus making the phosphorescence/fluorescence proportion alterable. Therefore, multicolor luminescence of the single luminophore can be achieved by a straightforward reversible mechanical stimulus.

A structure containing quinoline and nitrobenzene glucose kinase activator and use thereof (by machine translation)

-

Paragraph 0050; 0051, (2017/07/22)

The invention relates to a 2-type medicine field related to diabetes. Specifically, the invention relates to a containing quinoline and nitro phenyl structure of glucose kinase activator, preparation method thereof, and in the preparation of 2 type diabetes application of the medicament. Wherein R is selected from C1 - C3 Alkyl. (by machine translation)

Glucokinase activator containing nitroquinoline structure and application thereof

-

Paragraph 0034; 0037; 0038, (2017/07/19)

The invention relates to the field of medicine relevant to type II diabetes, in particular to a glucokinase activator containing a nitroquinoline structure, a preparation method of the glucokinase activator and application of the glucokinase activator to preparation of medicine for treating the type II diabetes. The structural formula of the glucokinase activator is shown in the description.

Glucokinase activating agent containing halogenated quinoline structure, preparation method and application thereof

-

Paragraph 0038; 0041-0042, (2017/08/29)

The invention relates to the field of medicines related to II-type diabetes, particularly relates to a glucokinase activating agent containing a halogenated quinoline structure, a preparation method and an application thereof in preparation of II-type diabetes medicines. The structure formula is shown in the specification, wherein, X is selected from a halogen substituent group.

Copper(II)-Catalyzed Single-Step Synthesis of Aryl Thiols from Aryl Halides and 1,2-Ethanedithiol

Liu, Yajun,Kim, Jihye,Seo, Heesun,Park, Sunghyouk,Chae, Junghyun

supporting information, p. 2205 - 2212 (2015/07/27)

A highly efficient transition metal-catalyzed single-step synthesis of aryl thiols from aryl halides has been developed employing copper(II) catalyst and 1,2-ethanedithiol. The key features are use of readily available reagents, a simple operation, and relatively mild reaction conditions. This new protocol shows a broad substrate scope with excellent functional group compatibility. A variety of aryl thiols are directly prepared from aryl halides in high yields. Furthermore, the aryl thiols are used in situ for the synthesis of more advanced molecules such as diaryl sulfides and benzothiophenes.

ZnAl2O4@SiO2 nanocomposite catalyst for the acetylation of alcohols, phenols and amines with acetic anhydride under solvent-free conditions

Farhadi, Saeed,Jahanara, Kosar

, p. 368 - 375 (2014/04/03)

A ZnAl2O4@SiO2 nanocomposite was prepared from metal nitrates and tetraethyl orthosilicate by the sol-gel process, and characterized by X-ray diffraction, Fourier transform infrared, transmission electron microscopy, and N2 adsorption-desorption measurements. The nanocomposite was tested as a heterogeneous catalyst for the acetylation of alcohols, phenols, and amines under solvent-free conditions. Under optimized conditions, efficient acetylation of these substrates with acetic anhydride over the ZnAl2O4@SiO2 nanocomposite was obtained. Acetylation of anilines and primary aliphatic amines proceeded rapidly at room temperature, while the reaction time was longer for the acetylation of alcohols and phenols, showing that an amine NH2 group can be selectively acetylated in the presence of alcoholic or phenolic OH groups. The catalyst can be reused without obvious loss of catalytic activity. The catalytic activity of the ZnAl2O4@SiO2 nanocomposite was higher than that of pure ZnAl2O4. The method gives high yields, and is clean, cost effective, compatible with substrates having other functional groups and it is suitable for practical organic synthesis.

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