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3-butyl-2-thioxothiazolidin-4-one is a chemical compound that belongs to the thiazolidin-4-one family. It is a derivative of thiazolidine-2,4-dione and contains a butyl group attached to the third carbon atom. 3-butyl-2-thioxothiazolidin-4-one has potential biological activities and has been studied for its antiviral, antibacterial, and anti-inflammatory properties. Additionally, it has shown to have antioxidant and hepatoprotective effects. Its molecular structure makes it a promising candidate for pharmaceutical research and drug development.

21494-64-4

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21494-64-4 Usage

Uses

Used in Pharmaceutical Industry:
3-butyl-2-thioxothiazolidin-4-one is used as a pharmaceutical candidate for its antiviral, antibacterial, and anti-inflammatory properties. It has potential applications in the development of new drugs to treat various infections and inflammatory conditions.
Used in Antioxidant Applications:
3-butyl-2-thioxothiazolidin-4-one is used as an antioxidant agent, which can help protect cells from oxidative damage and may have potential applications in the prevention and treatment of various diseases associated with oxidative stress.
Used in Hepatoprotective Applications:
3-butyl-2-thioxothiazolidin-4-one is used as a hepatoprotective agent, which can help protect the liver from damage and may have potential applications in the treatment of liver diseases and conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 21494-64-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,4,9 and 4 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 21494-64:
(7*2)+(6*1)+(5*4)+(4*9)+(3*4)+(2*6)+(1*4)=104
104 % 10 = 4
So 21494-64-4 is a valid CAS Registry Number.
InChI:InChI=1/C7H11NOS2/c1-2-3-4-8-6(9)5-11-7(8)10/h2-5H2,1H3

21494-64-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one

1.2 Other means of identification

Product number -
Other names Rhodanine,3-butyl

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:21494-64-4 SDS

21494-64-4Downstream Products

21494-64-4Relevant academic research and scientific papers

A facile one-pot, four-component synthesis of (Z)-isomer of rhodanine-oxindole derivatives under environmentally benevolent conditions

Aghamiri, Bagher,Jalalinik, Mahbod,Moghaddam, F. Matloubi

supporting information, (2021/12/31)

Herein, an efficient and sustainable one-pot, four-component access to rhodanine-oxindole derivatives is achieved by a reaction between primary amines, carbon disulfide, ethyl chloroacetate, and cyano-substituted alkenyl oxindoles. The reaction was conducted without any harsh conditions as well as exhausting workup in polyethylene glycol (PEG) as a green solvent at room temperature and delivered rhodanine-oxindole products in high yield. This publication is the first easy protocol to be reported for the rapid construction of new rhodanine-oxindole derivatives at room temperature without harsh conditions and via multicomponent reaction.

Design, synthesis and biological evaluation of imidazolidine-2,4-dione and 2-thioxothiazolidin-4-one derivatives as lymphoid-specific tyrosine phosphatase inhibitors

Liang, Xiao,Fu, Huansheng,Xiao, Peng,Fang, Hao,Hou, Xuben

, (2020/08/06)

Lymphoid-specific tyrosine phosphatase (LYP), which exclusively exists in immune cells and down-regulates T cell receptor signaling (TCR), has becoming a potent target for various autoimmune diseases. Herein, we designed and synthesized imidazolidine-2,4-dione and 2-thioxothiazolidin-4-one derivatives as new LYP inhibitors. Among them, the cinnamic acids-based inhibitors (9p and 9r) displayed good LYP inhibitory activities (IC50 = 2.85–6.95 μM). Especially, the most potent inhibitor 9r was identified as competitive inhibitor (Ki = 1.09 μM) and bind LYP reversibly. Meanwhile, 9r exhibited better selectivity over other phosphatases than known LYP inhibitor A15. Furthermore, compound 9r could regulate TCR associated signaling pathway in Jurkat T cell.

A concise approach to n-substituted rhodanines through a base-assisted one-pot coupling and cyclization process

Huo, Zhipeng,Liang, Yongxi,Sun, Xun,Tang, Mei-Lin,Zhang, Chenchen

, (2020/03/17)

An efficient approach to obtain functionalized rhodanines was developed through a base-assisted one-pot coupling and continuous cyclization of a primary amine, carbon disulfide, and methyl (2-chloroacetyl)carbamate. This conversion tolerates a broad range of functional groups and can be used to scale the preparation of N-substituted rhodanines in excellent yields.

Dithienopyrrole-benzodithiophene based donor materials for small molecular BHJSCs: Impact of side chain and annealing treatment on their photovoltaic properties

Busireddy, Manohar Reddy,Mantena, Venkata Niladri Raju,Chereddy, Narendra Reddy,Shanigaram, Balaiah,Kotamarthi, Bhanuprakash,Biswas, Subhayan,Sharma, Ganesh Datt,Vaidya, Jayathirtha Rao

, p. 312 - 325 (2016/07/21)

Two small molecular organic materials denoted as ICT1 and ICT2 with A-D1-D2-D1-A architecture have been synthesized and their thermal, photo-physical, electrochemical and photovoltaic properties are explored. Synthesized materials have n-butylrhodanine acceptor (A), dithienopyrrole (DTP) (D1) and benzodithiophene (BDT) (D2) (Alkoxy BDT and alkylthiophene BDT, respectively for ICT1 and ICT2) donor moieties. Both the materials have good solubility (up to 25 mg/mL) in most common organic solvents and have excellent thermal stability with the decomposition temperature (Td) as 348 and 382 °C, respectively for ICT1 and ICT2. Both ICT1 and ICT2 have broad and intense visible region absorption (molar excitation coefficient is 1.71 × 105 and 1.65 × 105 mol?1 cm?1, respectively for ICT1 and ICT2) and have suitable HOMO and LUMO energy levels for PC71BM acceptor. Bulk heterojunction solar cells with ITO/PEDOT:PSS/blend/Al structure are fabricated using these materials. The BHJSCs fabricated by spin cast of ICT1:PC71BM and ICT2:PC71BM (1:2 wt ratio) blend from chloroform showed power conversion efficiency (PCE) of 2.77% (Jsc = 6.84 mA/cm2, Voc = 0.92 V and FF = 0.44) and 3.27% (Jsc = 7.26 mA/cm2, Voc = 0.96 V and FF = 0.47), respectively. Annealing the active layer significantly improved the PCE of these BHJSCs to 5.12% (Jsc = 10.15 mA/cm2, Voc = 0.87 V and FF = 0.58) and 5.90% (Jsc = 10.68 mA/cm2, Voc = 0.92 V and FF = 0.60), respectively for ICT1 and ICT2 donors. The enhancement in the PCE is due to higher light harvesting ability of the active layer, better nanoscale morphology for efficient and balanced charge transport and effective exciton dissociation at the donor-acceptor interface.

Thiazolidinone-peptide hybrids as dengue virus protease inhibitors with antiviral activity in cell culture

Nitsche, Christoph,Schreier, Verena N.,Behnam, Mira A. M.,Kumar, Anil,Bartenschlager, Ralf,Klein, Christian D.

, p. 8389 - 8403 (2013/12/04)

The protease of dengue virus is a promising target for antiviral drug discovery. We here report a new generation of peptide-hybrid inhibitors of dengue protease that incorporate N-substituted 5-arylidenethiazolidinone heterocycles (rhodanines and thiazolidinediones) as N-terminal capping groups of the peptide moiety. The compounds were extensively characterized with respect to inhibition of various proteases, inhibition mechanisms, membrane permeability, antiviral activity, and cytotoxicity in cell culture. A sulfur/oxygen exchange in position 2 of the capping heterocycle (thiazolidinedione-capped vs rhodanine-capped peptide hybrids) has a significant effect on these properties and activities. The most promising in vitro affinities were observed for thiazolidinedione-based peptide hybrids containing hydrophobic groups with Ki values between 1.5 and 1.8 μM and competitive inhibition mechanisms. Rhodanine-capped peptide hybrids with hydrophobic substituents have, in correlation with their membrane permeability, a more pronounced antiviral activity in cell culture than the thiazolidinediones.

Aqueous microwave-assisted one-pot synthesis of N-substituted rhodanines

Nitsche, Christoph,Klein, Christian D.

, p. 5197 - 5201 (2012/10/30)

Two aqueous, one-pot, microwave-assisted methods for the rapid synthesis of N-substituted rhodanines from amine substrates are described. Alkyl- and benzylamines could be converted into the corresponding rhodanines with an atom-efficient one-pot, three-step protocol based on carbon disulfide and chloroacetic acid in short reaction times and good to excellent yields. An alternative, microwave-assisted one-pot, one-step protocol using bis(carboxymethyl)trithiocarbonate in water was developed for the synthesis of N-arylrhodanines from anilines.

Practical one-pot two-step protocol for the microwave-assisted synthesis of highly functionalized rhodanine derivatives

Radi, Marco,Botta, Lorenzo,Casaluce, Gianni,Bernardini, Martina,Botta, Maurizio

experimental part, p. 200 - 205 (2010/10/19)

A fast and efficient protocol for the generation of substituted 5-arylidene rhodanines in a sequential one-pot two-step process combining the "Holmberg method" and the Knoevenagel condensation under microwaveassisted conditions has been developed. The final compounds 11a-k have been obtained in high yield and purity after a simple precipitation from, methanol, making this procedure facile, practical, and rapid to execute.

Oxidative desulfurization of azole-2-thiones with benzoyl peroxide: Syntheses of ionic liquids and other azolium salts

Wolfe, Derek M.,Schreiner, Peter R.

, p. 2825 - 2838 (2008/03/13)

1-Alkyl-3-methylimidazole-2-thiones were prepared from amino esters in one pot and converted to inherently halide-free 1-alkyl-3-methylimidazolium benzoates by oxidation with benzoyl peroxide followed by a novel anion exchange. Also reported are the outcomes of exchanges with other anions, acidifications of the imidazolium benzoates to other salts, and extension of the method to the syntheses of 1,3-diphenylimidazolium and 3-methyl- and -butylthiazolium salts. Wiley-VCH Verlag GmbH & Co. KGaA, 2007.

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