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5-[(4-nitrophenyl)methylene]-1,3-thiazolane-2,4-dione is a chemical compound characterized by its molecular formula C11H6N2O4S. It is a yellow crystalline powder that features a thiazole ring and a nitrophenyl group. 5-[(4-nitrophenyl)methylene]-1,3-thiazolane-2,4-dione is recognized for its potential pharmacological properties, such as anti-inflammatory and antimicrobial activities, and has been investigated for its possible applications in treating various diseases, including cancer and neurodegenerative disorders. It is a versatile compound with promising applications in both research and pharmaceutical development.

34301-40-1

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34301-40-1 Usage

Uses

Used in Organic Synthesis:
5-[(4-nitrophenyl)methylene]-1,3-thiazolane-2,4-dione is used as an intermediate in organic synthesis for the production of various chemical compounds. Its unique structure and functional groups make it a valuable building block in the synthesis of pharmaceuticals and other organic molecules.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 5-[(4-nitrophenyl)methylene]-1,3-thiazolane-2,4-dione is used as a starting material for the development of new drugs. Its potential pharmacological properties, such as anti-inflammatory and antimicrobial activities, make it a promising candidate for the treatment of various diseases.
Used in Pharmaceutical Development:
5-[(4-nitrophenyl)methylene]-1,3-thiazolane-2,4-dione is used as a lead compound in pharmaceutical development. Its potential therapeutic effects against diseases like cancer and neurodegenerative disorders have attracted the attention of researchers and pharmaceutical companies, who are exploring its potential as a new drug candidate.
Used in Research:
In research settings, 5-[(4-nitrophenyl)methylene]-1,3-thiazolane-2,4-dione is used as a model compound to study its chemical properties, reactivity, and potential applications. Researchers are investigating its interactions with biological systems and exploring its use in the development of new therapeutic agents.
Used in Drug Discovery:
5-[(4-nitrophenyl)methylene]-1,3-thiazolane-2,4-dione is used as a target in drug discovery for the identification of novel therapeutic agents. Its unique structure and pharmacological properties make it an attractive target for the development of new drugs with improved efficacy and selectivity.
Overall, 5-[(4-nitrophenyl)methylene]-1,3-thiazolane-2,4-dione is a versatile and promising compound with a wide range of applications in various industries, including organic synthesis, medicinal chemistry, pharmaceutical development, research, and drug discovery. Its potential as a therapeutic agent for the treatment of various diseases, such as cancer and neurodegenerative disorders, highlights its importance in the field of pharmaceuticals and healthcare.

Check Digit Verification of cas no

The CAS Registry Mumber 34301-40-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,4,3,0 and 1 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 34301-40:
(7*3)+(6*4)+(5*3)+(4*0)+(3*1)+(2*4)+(1*0)=71
71 % 10 = 1
So 34301-40-1 is a valid CAS Registry Number.
InChI:InChI=1/C10H6N2O4S/c13-9-8(17-10(14)11-9)5-6-1-3-7(4-2-6)12(15)16/h1-5H,(H,11,13,14)/b8-5+

34301-40-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

1.2 Other means of identification

Product number -
Other names 5-(4-Nitro-benzyliden)-thiazolidin-2,4-dion

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:34301-40-1 SDS

34301-40-1Relevant academic research and scientific papers

Discovery of 2,4-thiazolidinedione-tethered coumarins as novel selective inhibitors for carbonic anhydrase IX and XII isoforms

Eldehna, Wagdy M.,Taghour, Mohammed S.,Al-Warhi, Tarfah,Nocentini, Alessio,Elbadawi, Mostafa M.,Mahdy, Hazem A.,Abdelrahman, Mohamed A.,Alotaibi, Ohoud J.,Aljaeed, Nada,Elimam, Diaaeldin M.,Afarinkia, Kamyar,Abdel-Aziz, Hatem A.,Supuran, Claudiu T.

, p. 531 - 541 (2022/01/13)

Different 2,4-thiazolidinedione-tethered coumarins 5a–b, 10a–n and 11a–d were synthesised and evaluated for their inhibitory action against the cancer-associated hCAs IX and XII, as well as the physiologically dominant hCAs I and II to explore their selec

Synthesis and anti-diabetic activity evaluation of phosphonates containing thiazolidinedione moiety

Sujatha, Bogiri,Chennamsetty, Subramanyam,Chintha, Venkataramaiah,Wudayagiri, Rajendra,Prasada Rao, Kammela

, p. 586 - 591 (2020/03/23)

A sequence of substituted phosphonates containing the thiazolidinedione moiety was synthesized with good yields. The structures of all the synthesized compounds were confirmed by NMR (31P, 1H and 13C) and IR spectroscopy, mass spectrometry and C, H, N elemental analyses. In silico molecular docking study was also carried out to evaluate their interaction and binding modes on ligands against human PPAR γ protein for their anti-diabetic activity. From the docking results, it was determined that the compounds (Z)-dimethyl 5-(3-nitrobenzylidene)?2,4-dioxothiazolidin-3-ylphosphonate (7a), (Z)-dimethyl 5-(3-chloro-4-fluorobenzylidene)?2,4-dioxothiazolidin-3-ylphosphonate (7f), (Z)-dimethyl 5-(2,4-dichlorobenzylidene)?2,4-dioxothiazolidin-3-ylphosphonate (7e) and (Z)-dimethyl 5-((5-methoxypyridin-2-yl)methylene)?2,4-dioxothiazolidin-3-ylphosphonate (7j) have shown better binding energies (?7.8, ?7.6, ?7.5 and ?7.6 Kcal/mol) with the target gene, PPAR γ than the reference drug, Rosiglitazone (?7.4 Kcal/mol). In vitro anti-diabetic activity of the title compounds was also screened by standard α-amylase inhibition assay. Some of the tested compounds proved to possess promising activity when compared with the reference drug.

Design, synthesis, and biological evaluation of new challenging thalidomide analogs as potential anticancer immunomodulatory agents

El-Zahabi, Mohamed Ayman,Sakr, Helmy,El-Adl, Khaled.,Zayed, Mohamed,Abdelraheem, Adel S.,Eissa, Sally I.,Elkady, Hazem,Eissa, Ibrahim H.

, (2020/09/16)

Thalidomide and its analogs are immunomodulatory drugs that inhibit the production of certain inflammatory mediators associated with cancer. In the present work, a new series of thalidomide analogs was designed and synthesized to obtain new effective antitumor immunomodulatory agents. The synthesized compounds were evaluated for their cytotoxic activities against a panel of four cancer cell lines (HepG-2, HCT-116, PC3 and MCF-7). Compounds 33h, 33i, 42f and 42h showed strong potencies against all tested cell lines with IC50 values ranging from 14.63 to 49.90 μM comparable to that of thalidomide (IC50 values ranging from 32.12 to 76.91 μM). The most active compounds were further evaluated for their in vitro immunomodulatory activities via estimation of human tumor necrosis factor alpha (TNF-α), human caspase-8 (CASP8), human vascular endothelial growth factor (VEGF), and nuclear factor kappa-B P65 (NF-κB P65) in HCT-116 cells. Thalidomide was used as a positive control. Compounds 33h and 42f showed a significant reduction in TNF-α. Furthermore, compounds 33i and 42f exhibited significant elevation in CASP8 levels. Compounds 33i and 42f inhibited VEGF. In addition, compound 42f showed significant decrease in levels of NF-κB p65. Moreover, apoptosis and cell cycle tests of the most active compound 42f, were performed. The results indicated that compound 42f significantly induce apoptosis in HCT-116 cells and arrest cell cycle at the G2/M phase.

Synthesis, Antimicrobial Activity and Structure-Activity Relationship of Some 5-Arylidene-thiazolidine-2,4-dione Derivatives

De Paiva, Raíssa K.C.,Da Silva, Jamerson F.,Moreira, Hudieyllen A.,Pinto, Osvaldo G.,Camargo, Lilian T.F.M.,Naves, Plínio L.F.,Camargo, Ademir J.,Ribeiro, Luciano,Ramos, Luciana M.

, p. 164 - 172 (2018/12/13)

Derivatives of the thiazolidine-2,4-dione core represent a heterocyclic class with several correlated properties. In this context, the synthesis of structural analogues of these bioactive substances becomes attractive in the field of medicinal chemistry. These analogues act as antimicrobial agents against Gram-positives pathogens. The present work aimed to synthesize 10 different derivatives of 5-arylidene-thiazolidine-2,4-dione, employing urea as the catalyst in a solvent-free reaction medium, with yields that ranged from 45 to 99percent. The compounds obtained were submitted to an antimicrobial assay against S. aureus ATCC 29213. Two compounds presented minimum inhibitory concentration of 62.5 and 32.5 μg mL-1 and minimum bactericidal concentration -1, demonstrating their antibacterial potential. Principal component analysis was carried out to discriminate the compounds in active and inactive classes. Four geometric and electronic molecular descriptors were required to completely discriminate the compounds. The selected descriptors can guide us in designing new 5-arylidene-thiazolidine-2,4-dione derivatives with enhanced activity.

New Route for the Synthesis of Thiazolidine 2,4dione Azepine Derivatives

Kommidi, Devendar Reddy,Pagadala, Ramakanth,Varkolu, Mohan,Koorbanally, Neil A.,Moodley, Brenda

, p. 1071 - 1076 (2017/03/27)

A new facile ionic liquid mediated proficient method is developed for the synthesis of structurally new thiazepine and oxazepine derivatives of thiazolidine 2,4-dione. This protocol proceeds through, one-pot three component reaction between fused cyclic k

Design, synthesis and evaluation of novel thiazolidinedione derivatives as anti-hyperglycemic and anti-hyperlipidemic agents

Shrivastava, Sushant K.,Batham, Ankit,Sinha, Saurabh K,Parida, Tanmaya K.,Garabadu, Debapriya,Choubey, Priyanka K.

, p. 2258 - 2266 (2016/10/25)

A novel series of thiazolidine-2,4-diones was designed, synthesized and investigated for anti-diabetic activity. The (2,4-dioxo-1,3-thiazolidin-5-yl)methylphenylbenzamide derivatives contain an amide linkage between the central aryl ring and the hydrophobic tail. Structures of the compounds were confirmed by spectroscopic techniques fourier transform infrared spectroscopy, 1H-nuclear magnetic resonance and elemental (C, H, N) analysis. The synthesized compounds were evaluated for their in-vivo pharmacological activity (blood glucose and triglyceride lowering activity), where compounds thiazolidinediones-C and thiazolidinediones-E showed significant effects, comparable to the standard pioglitazone. Computational studies positively substantiated the nature and interaction of the designed compounds with peroxisome proliferator-activated receptor gamma.

A simple, efficient and green procedure for knoevenagel condensation in hydroxy-functionalized ionic liquids

Liu, Yuting,Li, Rong,Xing, Yanjun

, p. 1385 - 1397 (2015/07/15)

An efficient and simple Knoevenagel condensation catalyzed by hydroxy-functionalized ionic liquids proceeded smoothly in high yields under ambient and solvent-free conditions. The condensation procedures of aryl aldehydes and 2,4-thiazolidinedione was involved in hydrogen bonding interactions between the hydroxy groups of the ILs and the carbonyl group of the aldehyde. The ionic liquids can be reused for five times without significant loss in activity.

Multicomponent domino process for the synthesis of some novel 5-(arylidene)-3-((1-aryl-1H-1,2,3-triazol-4-yl)methyl)-thiazolidine-2,4-diones using PEG-400 as an efficient reaction medium and their antimicrobial evaluation

Sindhu, Jayant,Singh, Harjinder,Khurana,Sharma, Chetan,Aneja

, p. 50 - 54 (2015/01/30)

A series of novel thiazolidinedione-triazole hybrids were synthesized by one pot reaction between thiazolidine-2,4-dione, substituted aryl aldehydes, propargyl bromide and substituted aryl azides using piperidine, CuSO4·5H2O and sodi

Development of potent adenosine monophosphate activated protein kinase (AMPK) activators

Dokla, Eman M. E.,Fang, Chun-Sheng,Lai, Po-Ting,Kulp, Samuel K.,Serya, Rabah A. T.,Ismail, Nasser S. M.,Abouzid, Khaled A. M.,Chen, Ching-Shih

supporting information, p. 1915 - 1923 (2015/11/10)

Previously, we reported the identification of a thiazolidinedione-based adenosine monophosphate activated protein kinase (AMPK) activator, compound 1 (N-[4-({3-[(1-methylcyclohexyl)methyl]-2,4-dioxothiazolidin-5-ylidene}methyl)phenyl]-4-nitro-3-(trifluoromethyl)benzenesulfonamide), which provided a proof of concept to delineate the intricate role of AMPK in regulating oncogenic signaling pathways associated with cell proliferation and epithelial-mesenchymal transition (EMT) in cancer cells. In this study, we used 1 as a scaffold to conduct lead optimization, which generated a series of derivatives. Analysis of the antiproliferative and AMPK-activating activities of individual derivatives revealed a distinct structure-activity relationship and identified 59 (N-(3-nitrophenyl)-N′-{4-[(3-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2,4-dioxothiazolidin-5-ylidene)methyl]phenyl}urea) as the optimal agent. Relative to 1, compound 59 exhibits multifold higher potency in upregulating AMPK phosphorylation in various cell lines irrespective of their liver kinase B1 (LKB1) functional status, accompanied by parallel changes in the phosphorylation/expression levels of p70S6K, Akt, Foxo3a, and EMT-associated markers. Consistent with its predicted activity against tumors with activated Akt status, orally administered 59 was efficacious in suppressing the growth of phosphatase and tensin homologue (PTEN)-null PC-3 xenograft tumors in nude mice. Together, these findings suggest that 59 has clinical value in therapeutic strategies for PTEN-negative cancer and warrants continued investigation in this regard. Small-molecule AMPK activators: Metabolism reprogramming is a key feature of all cancer cells. Adenosine monophosphate activated protein kinase (AMPK) is an energy sensor; activation of this enzyme can restore normal cell metabolism. Starting with the previously reported AMPK activator OSU-53 (1), an optimization study was conducted, guided by docking studies. Compound 59 was identified as the optimal agent, with greater potency than OSU-53.

Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones

Ran?i?, Milica,Tri?ovi?, Nemanja,Mil?i?, Milo?,U??umli?, Gordana,Marinkovi?, Aleksandar

experimental part, p. 500 - 507 (2012/02/04)

The absorption spectra of twelve 5-arylidene-2,4-thiazolidinediones were recorded in twenty one solvents in the range from 300 to 600 nm. The effect of specific and non-specific solvent-solute interactions on the absorption maxima shifts were evaluated by

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