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4-(BETA-PHENETHYL)-3-THIOSEMICARBAZIDE, a thiosemicarbazide derivative with the molecular formula C10H14N4S, is a chemical compound featuring a phenethyl group attached to the nitrogen atom. Known for its diverse biological activities, 4-(BETA-PHENETHYL)-3-THIOSEMICARBAZIDE holds promise as a pharmaceutical drug candidate, with potential applications in various therapeutic areas.

21198-23-2

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21198-23-2 Usage

Uses

Used in Pharmaceutical Industry:
4-(BETA-PHENETHYL)-3-THIOSEMICARBAZIDE is used as a drug candidate for its antiviral, antibacterial, antifungal, and antitumor properties. Its broad-spectrum activity makes it a valuable asset in the development of new treatments for various infectious diseases and cancer therapies.
Used in Chelating Applications:
In the chemical industry, 4-(BETA-PHENETHYL)-3-THIOSEMICARBAZIDE is used as a chelating agent for metal ions. Its ability to form stable complexes with metal ions can be utilized in various applications, such as wastewater treatment and the recovery of valuable metals from industrial processes.
Used in Corrosion Inhibition:
4-(BETA-PHENETHYL)-3-THIOSEMICARBAZIDE also serves as a corrosion inhibitor, protecting metal surfaces from degradation in various industrial settings. Its effectiveness in preventing corrosion makes it a potential candidate for use in coatings, lubricants, and other protective formulations.
Further research is necessary to fully explore the potential applications and mechanisms of action of 4-(BETA-PHENETHYL)-3-THIOSEMICARBAZIDE, ensuring its safe and effective use in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 21198-23-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,1,9 and 8 respectively; the second part has 2 digits, 2 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 21198-23:
(7*2)+(6*1)+(5*1)+(4*9)+(3*8)+(2*2)+(1*3)=92
92 % 10 = 2
So 21198-23-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H13N3S/c10-12-9(13)11-7-6-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H2,11,12,13)

21198-23-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name N-(1-Phenylethyl)hydrazinecarbothioamide

1.2 Other means of identification

Product number -
Other names 1-amino-3-(2-phenylethyl)thiourea

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:21198-23-2 SDS

21198-23-2Relevant academic research and scientific papers

Synthesis and Antiproliferative Activity of New Thiosemicarboxamide Derivatives

Chen, Jun,Fang, Meijuan,Guo, Yafei,Hu, Hongyu,Hu, Sangsang,Sun, Ke,Wu, Jun,Xue, Yuhua

, (2021/11/09)

To discover new anticancer agents, two series of thiosemicarboxamide derivatives were synthesized and evaluated for their antiproliferative activity against human cancer cells in vitro. Most target compounds (especially 3f, 3g, and 3h) exhibit potent antiproliferative activity against HeLa cells. Importantly, compound 3h, bearing a 4-methylphenyl substituent at N position of thiourea moiety, has significant and broad-spectrum inhibitory activities against cancer cells (HepG2, HeLa, MDA-MB231, A875, and H460 cells) with low IC50 values (5.0 μM) and shows low toxicity to normal LO2 and MRC-5 cells. Further studies show that compound 3h exerts high inhibitory activity in cancer cells by inducing the G2/M-phase arrest of cancer cells. Collectively, this study presents compound 3h as a new entity for the development of cell cycle arrest inducers for the treatment of cancer.

INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE

-

Paragraph 00184; 00189; 00199, (2020/05/07)

The present application pertains to methods of using indole-oxadiazole compounds of Formula I to modulate cannabinoid receptor activity: I In particular diseases, disorders or conditions that benefit from modulating cannabinoid receptor activity, such as non-alcoholic steatohepatitis (NASH), non-alcoholic fatty liver disease (NAFLD), schizophrenia, bipolar disorder, psychosis, metabolic syndrome, type-2 diabetes, dyslipidaemia, obesity, eating disorders, cardiovascular diseases and disorders, and other conditions as described herein, may be treated. Also included in the present application are certain novel compounds of Formula Ia and pharmaceutical compositions comprising these compounds.

Thiosemicarbazone-based lead optimization to discover high-efficiency and low-toxicity anti-gastric cancer agents

Bo-Wang,He, Zhang-Xu,Li, Yi-Han,Liu, Hong-Min,Ma, Li-Ying,Ma, Qin,Tao, Yuan-Yuan,Wang, Hao-Jie,Wu, Hui-Pan,Zhang, Xin-Hui,Zhao, Bing

, (2020/05/19)

In this paper, a series of thiosemicarbazone derivatives containing different aromatic heterocyclic groups were synthesized and the tridentate donor system of the lead compound was optimized. Most of the target compounds showed improved antiproliferative activity against MGC803 cells. SAR studies revealed that compound 5d displayed significant advantages in inhibition effect with an IC50 value of 0.031 μM, and better selectivity between cancer and normal cells than 3-AP and DpC (about 15- and 5-fold improved respectively). Besides, compound 5d showed selective antiproliferative activity in not only other cancer cells but also different gastric cancer cell lines. In-depth mechanism studies showed that compound 5d could induce mitochondria-related apoptosis which might be related to the elevation of intracellular ROS level, and cause cell cycle arrest at S phase. Moreover, 5d could evidently suppress the cell migration and invasion by blocking the EMT (epithelial–mesenchymal transition) process. Consequently, our studies provided a lead optimization strategy of thiosemicarbazone derivatives which would contribute to discover high-efficiency and low-toxicity agents for the treatment of gastric cancer.

Synthesis, characterization, and antioxidant activity of some new N 4-arylsubstituted-5-methoxyisatin-β-thiosemicarbazone derivatives

Mu?lu, Halit

, p. 2083 - 2098 (2020/01/13)

Abstract: Firstly, thiosemicarbazides were prepared by the reaction of hydrazine monohydrate with isothiocyanates in cold dry ethanol at 0?°C for 1?h. After that, new isatin-β-thiosemicarbazones were synthesized by treatment of 5-methoxyisatin with thiose

Preparation, structure elucidation, and antioxidant activity of new bis(thiosemicarbazone) derivatives

Yakan, Hasan

, p. 1085 - 1099 (2020/09/16)

Schiff-base–bearing new bis(thiosemicarbazone) derivatives were prepared from terephthalaldehyde and various thiosemicarbazides. FT–IR, 1 H NMR, 13 C NMR, and UV–Vis spectroscopic methods and elemental analysis were used to elucidate

Novel thiosemicarbazone derivatives containing indole fragment as potent and selective anticancer agent

He, Zhangxu,Qiao, Hui,Yang, Feifei,Zhou, Wenjuan,Gong, Yunpeng,Zhang, Xinhui,Wang, Haojie,Zhao, Bing,Ma, Liying,Liu, Hong-min,Zhao, Wen

, (2019/10/14)

Potent and safe anticancer drugs research and development are still on the way to human health. In this report, a series of novel thiosemicarbazone derivatives containing indole fragment were designed and synthesized. Most compounds exhibited excellent antiproliferative activity against PC3, MGC803 and EC109 cell lines with low micromolar IC50 (0.14–12μM). Especially, compound 5j can selectively inhibit PC3 cells in three tested tumor cells with IC50 value of 0.14 μM, which may be attributed to a synergistic effect after introducing indole fragment into the TSC structure. Meanwhile, compound 5j displayed more selectivity in PC3 cells toward two normal WPMY-1 and GES-1 cell lines, compared to those of 3-AP and DPC. We also found that 5j can effectively inhibit PC3 cell proliferation, colonization and induce apoptosis. What's more, 5j may significantly suppress migration and invasion by blocking the EMT process but had no effect on cell cycle. Collectively, our findings indicate that 5j with structure of thiosemicarbazone containing indole may serve as a useful anticancer lead for further optimization and development.

Preparation and antitubercular activities of palindromic hydrazinecarbothioamides and carbonothioic dihydrazides

Hearn, Michael Joseps,Towers, Gwendolyn,Cynamon, Michael Henry

, p. 1202 - 1210 (2019/11/22)

Background: With approximately one-third of the world’s population infected, tuberculosis continues to be a global public health crisis. The rise of strains that are unusually virulent or highly resistant to current drugs is a cause of special concern, pr

Novel 4-quinoline-thiosemicarbazone derivatives: Synthesis, antiproliferative activity, in vitro and in silico biomacromolecule interaction studies and topoisomerase inhibition

Ribeiro, Amélia Galdino,Almeida, Sinara M?nica Vitalino de,de Oliveira, Jamerson Ferreira,Souza, Tulio Ricardo Couto de Lima,Santos, Keriolaine Lima dos,Albuquerque, Amanda Pinheiro de Barros,Nogueira, Mariane Cajuba de Britto Lira,Carvalho Junior, Luiz Bezerra de,Moura, Ricardo Olímpio de,da Silva, Aline Caroline,Pereira, Valéria Rêgo Alves,Castro, Maria Carolina Accioly Brelaz de,Lima, Maria do Carmo Alves de

, (2019/08/20)

Twelve 2-(quinolin-4-ylmethylene) hydrazinecarbothioamide derivatives were synthetized and their biological properties were investigated, among which, the ability to interact with DNA and BSA through UV–Vis absorption, fluorescence, Circular Dichroism, molecular docking and relative viscosity, antiproliferative activity against MCF-7 and T-47D mammary tumor cells and RAW-264.7 macrophages and inhibitory capacity of the enzyme topoisomerase IIα. In the binding study with DNA and BSA, all the compounds displayed affinity for interaction with both biomolecules, especially JF-92 (p-ethyl-substituted), with binding constant of 1.62 × 106 and 1.43 × 105, respectively, and DNA binding mode by intercalation. The IC50 values were obtained between 0.81 and 1.48 μM and topoisomerase inhibition results in 10 μM. Thus, we conclude that the reduction of the acridine to quinoline ring did not disrupt the antitumor action and that substitution patterns are important for biomolecule interaction affinity as they demonstrate the potential of these compounds for anticancer therapy.

Inhibitory properties of aromatic thiosemicarbazones on mushroom tyrosinase: Synthesis, kinetic studies, molecular docking and effectiveness in melanogenesis inhibition

Ha?dys,Goldeman,Jewgiński,Wolińska,Anger,Rossowska,Latajka

, p. 577 - 586 (2018/09/29)

The group of 19 thiosemicarbazones (TSCs) were synthesized and its inhibitory activity toward mushroom tyrosinase and ability to inhibition of melanogenesis in B16 cells were investigated. Moreover, molecular docking of these compounds to the active site of the enzyme was performed. The obtained results allowed to make the structure-activity relationship (SAR) analysis. Kinetic studies revealed that TSCs 1, 2, 11 and 18 have better inhibitory properties than kojic acid, a reference compound, with the best inhibitory constant (Ki) value of 0.38 μM for TSC 2. According to SAR analysis, the smaller and less branched molecules exhibit higher affinity to the enzyme. Melanin production in B16 cells was inhibited by all investigated compounds at micromolar level. Most of compounds studied in this work can be considered as potent inhibitors of tyrosinase and melanogenesis. They may have broad application in food preservatives and cosmetics. Combined results of molecular docking and SAR analysis can be helpful in designing novel tyrosinase inhibitors of desired properties.

Thiosemicarbazones and 4-thiazolidinones indole-based derivatives: Synthesis, evaluation of antiproliferative activity, cell death mechanisms and topoisomerase inhibition assay

de Oliveira, Jamerson Ferreira,Lima, Talitha Santos,Vendramini-Costa, Débora Barbosa,de Lacerda Pedrosa, Sybelle Christianne Batista,Lafayette, Elizabeth Almeida,da Silva, Rosali Maria Ferreira,de Almeida, Sinara Monica Vitalino,de Moura, Ricardo Olímpio,Ruiz, Ana Lúcia Tasca Gois,de Carvalho, Jo?o Ernesto,de Lima, Maria do Carmo Alves

, p. 305 - 314 (2017/05/16)

In this study, we report the synthesis and structural characterization of a series of thiosemicarbazone and 4-thiazolidinones derivatives, as well as their in?vitro antiproliferative activity against eight human tumor cell lines. For the most potent compo

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