5700-04-9

Usage

Uses

Used in Pharmaceutical Industry:
1,3-DIAZEPANE-2-THIONE is used as a key intermediate in the synthesis of various pharmaceutical compounds, such as benzodiazepines, which are widely used as anxiolytics, sedatives, and hypnotics. Its unique structure allows for the development of new drugs with improved pharmacological properties and reduced side effects.
Used in Coordination Chemistry:
1,3-DIAZEPANE-2-THIONE is used as a ligand in the synthesis of coordination complexes, such as cadmium chloride complexes (e.g., Cd(Diap)2Cl2). These complexes exhibit substantial antibacterial activities, making them potential candidates for the development of new antimicrobial agents to combat drug-resistant bacterial infections.

InChI:InChI=1/C5H10N2S/c8-5-6-3-1-2-4-7-5/h1-4H2,(H2,6,7,8)

Upstream product

• 19055-93-7 1,3-diazepan-2-one 
• 51250-16-9 S-aminobutyl-N-dithiocarbamic acid 
• 75-15-0 carbon disulfide 
• 110-60-1 1,4-diaminobutane 
• 56-23-5 tetrachloromethane 
• 137-26-8 Thiram 
• 97-74-5 bis(dimethylthiocarbamoyl)sulfide 
• 3358-42-7 4,5,6,7-tetrahydro-2-(methylthio)-1H-1,3-diazepine hydriodide 
• 7440-44-0 pyrographite 
• 110-52-1 1,4-dibromo-butane 
• 17356-08-0 thiourea 

Downstream Products

• 19055-93-7 1,3-diazepan-2-one 
• 128526-49-8 7-Amino-8-cyano-9-phenyl-2,3,4,5-tetrahydropyrido<1,2-a><1,3>diazepine 
• 20991-09-7 phenyl-(8-phenyl-1,6,8-triaza-bicyclo[5.2.0]non-6-en-9-ylidene)-amine 
• 142-64-3 piperazine dihydrochloride 
• 93378-51-9 2-methyl-2H-5,6,7,8-tetrahydrothiazolo<3,2-a><1,3>diazepin-3(2H)-one 
• 3358-42-7 4,5,6,7-tetrahydro-2-(methylthio)-1H-1,3-diazepine hydriodide 
• 16597-38-9 1,3-dimethyl-1,3-diazacycloheptan-2-one 
• 16597-36-7 1,3-dimethyl-1,3-diaza-2-cycloheptanethione 
• 25565-82-6 3-(4-aminobutyl)-1,3-thiazolidine-2,4-dione hydrochloride 
• 5627-31-6 1,45,6-triazabicyclo[3.5.0]dec-4-ene 
• 84125-80-4 2,3,5,6,7,8-Hexahydro-2,3-diphenylthiazolo[3,2-a][1,3]-diazepin-3-ol methanesulfonate 
• 84125-64-4 2-(p-Chlorophenyl)-2,3,5,6,7,8-hexahydro-3-[3,4-(methylenedioxy)phenyl]thiazolo[3,2-a][1,3]diazepin-3-ol hydrochloride 
• 84126-17-0 2-(p-Fluorophenyl)-3-(3,4-methylenedioxyphenyl)-2,3,5,6,7,8-hexahydrothiazolo[3,2-a][1,3]diazepin-3-ol hydrochloride 
• 84126-20-5 3-(3,4-Dimethoxyphenyl)-2-(m-fluorophenyl)-2,3,5,6,7,8-hexahydrothiazolo[3,2-a][1,3]diazepin-3-ol hydrochloride 

Relevant academic research and scientific papers

OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF

The present disclosure provides modified oligonucleotides and compositions and methods thereof. In some embodiments, provided technologies comprise modified sugars and/or modified internucleotidic linkages. In some embodiments, the present disclosure provides technologies for preparing modified oligonucleotides. In some embodiments, the present disclosure provides chirally controlled oligonucleotide compositions and methods for their preparation and uses.

One-step construction of unsymmetrical thioureas and oxazolidinethiones from amines and carbon disulfide: Via a cascade reaction sequence

A concise and versatile method for the construction of unsymmetrical thioureas and oxazolidinethiones from amines and carbon disulfide has been achieved in DMSO without addition of extra reagents. The present protocol is compatible with various secondary amines and primary amines, and suitable for intermolecular and intramolecular reactions. Diverse unsymmetrical thioureas and oxazolidinethiones were efficiently obtained in good to excellent yields via a cascade reaction sequence.

Bis-(triethylphosphine)platinum(II) complexes with thiones as anti cancer agents

Platinum(II) complexes having mixed ligands as anticancer agents. The central platinum atom is coordinated by two phosphine ligands and two heterocyclic thione ligands. Each heterocyclic thione ligand has a five-, six- or seven-membered heterocyclic ring with two nitrogen atoms at positions 1 and 3 of the ring and a thiocarbonyl group at position 2. Pharmaceutical compositions incorporated the platinum(II) complexes, methods of synthesizing the complexes and methods of treating cancers with the complexes or pharmaceutical compositions thereof are also described.

Synthesis, spectroscopic characterization and in vitro anticancer activity of new platinum(II) complexes with some thione ligands?in the presence of triethylphosphine

Seven new platinum(II) complexes (1–7) of triethylphosphine (Et3P) and thiones (L) with general formula, cis-[Pt(Et3P)2(L)2]Cl2 were prepared and characterized by elemental analysis, FTIR and NMR (1H, 13C & 31P) measurements. The analytical and spectroscopic data suggested the formation of the desired complexes. The complexes were tested for in vitro cytotoxicity against four cell lines: Hela (human cervical adenocarcinoma), MCF-7 (human breast carcinoma), A549 (human lung carcinoma), and HTC15 (human colon carcinoma). The anticancer activity values of compounds 1–6 are much better than cisplatin and carboplatin as indicated by their IC50 values.

Platinum(II) complexes with thione ligands and methods thereof

Platinum(II) complexes having thione-based heterocyclic ligands as anticancer agents. The central platinum atom is coordinated by four of the ligands, each having a five-, six- or seven-membered heterocyclic ring with two nitrogen atoms at positions 1 and 3 of the ring and a thiocarbonyl group at position 2. Pharmaceutical compositions incorporated the platinum(II) complexes, methods of synthesizing the complexes and methods of treating cancers with the complexes or pharmaceutical compositions thereof are also described.

Tetrakis(thione)platinum(II) complexes: Synthesis, spectroscopic characterization, crystal structures, and in vitro cytotoxicity

A new series of platinum(II) complexes based on thione ligands with general formula [Pt(thione)4]X2 (X- = Cl-, NO3-) has been synthesized and characterized using CHNS elemental analysis, infrared, 1H and 13C solution-state NMR as well as 13C and 15N solid-state NMR spectroscopy, and X-ray crystallography. The spectroscopic methods confirm the coordination of Pt(II) with thiocarbonyl groups via sulfur of the thione ligands. The X-ray structures showed a distorted square planar geometry for 1, [Pt(MeImt)4]Cl2 (MeImt = N-Methylimidazolidine-2-thione) while the hydrogen bonding interactions in 7, [Pt(iPrImt)4](NO3)2·0.6(H2O) induce a bent see-saw distortion relative to the ideal square planar geometry. The in vitro cytotoxicity studies showed that 2, [Pt(EtImt)4]Cl2 is generally the most effective, a two-fold better cytotoxic agent than cisplatin and carboplatin against MCF7 (human breast cancer).

New data on the alkylation of cyclic thioureas with α-halo-carboxylic acids and their esters. 3. Alkylation of butylenethioureas

The reactions of 1,3-diazepane-2-thione with α-halocarboxylic acids and their esters have been studied in detail. On alkylation of butylenethiourea with chloroacetic acid and ethyl chloro(bromo)acetate in anhydrous acetone at room temperature the hydrogen chloride of the S-carboxymethyl and the hydrogen halides of the S-ethoxycarbonylmethyl derivatives respectively of the cyclic substrate were formed initially. When butylenethiourea was alkylated with chloroacetic acid in boiling ethanol in the presence of sodium acetate the neutral (zwitterionic) form of its S-carboxymethyl derivative was also formed. Our results and the literature data on the alkylation of 5-, 6-, and 7-membered cyclic thioureas with α-halocarboxylic acids and their esters have been reviewed and interpreted.

Strong reducing agents containing dimolybdenum Mo24+ units and their oxidized cations with Mo25+/6+ cores stabilized by bicyclic guanidinate anions with a seven-membered ring

The syntheses of two analogues of the bicyclic guanidinate ligand hpp (hpp = the anion of the guanidine-type compound 1,3,4,6,7,8-hexahydro-2H-pyrimido[1, 2a]pyrimidine) which contain two fused rings are reported. Each compound contains one seven-membered ring while the other is either a five (Htbd) or a six (Htbu) membered ring. In THF/Bu4NPF6, the dimolybdenum compounds Mo2(tbd)4 and Mo2(tbu)4 are easily oxidized and they have signals in the differential pulse voltammograms at -1.059 and -1.009 V (vs. Ag/AgCl), respectively and for the Mo25+/6+ couples and in the same order -0.242 and -0.312 V for the Mo26+/5+ couples. The two compounds produce the corresponding Mo2(bicyclic guanidinate)4Cl compounds immediately upon dissolution in CH2Cl2 and these easily form species with Mo26+ cores. In Mo2(tbd) 4Cl there are two crystallographically independent molecules with Mo-Mo distances of 2.1711(7) and 2.1690(7) . The distance between metal atoms increases to 2.206(1) upon oxidation to Mo2(tbd)4Cl 2 which has a triply bonded Mo26+ core. For the diamagnetic compound Mo2(tbu)4 this distance is 2.0677(9) and it increases to 2.133(2) upon reduction of the bond order from 4 to 3.5 in the paramagnetic compound Mo2(tbu)4Cl. The Royal Society of Chemistry 2006.

Novel bridgehead nitrogen heterocycles: Facile synthesis and antimicrobial activity of 2,3-diaryl-3,3a,6,7,8,9-hexahydro-2H-pyrazolothiazolodiazepines

A facile synthesis of 2,3-diaryl-3,3a,6,7,8,9-hexahydro-2H-pyrazolothiazolodiazepines (3) has been achieved in a single-step by treating 2-arylidene-5,6,7,8-tetrahydrothiazolodiazepin-3(2H)-ones (2) with hydrazines.Compounds 2 is turn have been obtained in a single-step by condensing 4,5,6,7-tetrahydro-1H-1,3-diazepine-2-thiol (1) with ethyl chloroacetate and aldehydes in the presence of pyridine and piperidine.Compounds 3 represent a novel and hitherto unknown heterocyclic system.The antibacterial and antifungal activities of some of the compounds of this system have also been evaluated.