Tag: M.W=150-200

Ramacharyulu, P. V. R. K. published the artcilePhotocatalytic decontamination of sulfur mustard using titania nanomaterials, Application of 1,2-Bis(2-chloroethyl)disulfane, the publication is Journal of Molecular Catalysis A: Chemical (2012), 132-137, database is CAplus.

Photocatalytic decontamination of sulfur mustard (HD) was studied on titania nanomaterials, and data obtained with irradiation of sunlight and UV-A light were compared with that obtained without irradiation Role of particle size on photocatalytic decontamination of HD was also studied. Decontamination efficiency decreased when particle size was increased from 11 to 1000 nm. TiO₂ nanoparticles of ∼11 nm size of anatase phase exhibited superior decontamination properties relative to larger ones. 100% of HD was decontaminated on their surface within 6 h with irradiation of light. Without irradiation, only 24.7% of HD was removed. GC-MS data indicated decontamination of HD to acetaldehyde, CO₂, sulfur mustard sulfoxide, thiodiglycol, acetic acid, etc. due to photocatalysis. Without irradiation only hydrolysis products of HD like thiodiglycol were observed to be formed.

Journal of Molecular Catalysis A: Chemical published new progress about 1002-41-1. 1002-41-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 1,2-Bis(2-chloroethyl)disulfane, and the molecular formula is C4H8Cl2S2, Application of 1,2-Bis(2-chloroethyl)disulfane.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Nagarajaiah, H. published the artcileSequential One-Pot Synthesis of 2-Aminothiazoles Using Corresponding Ketones: Insights into Their Structural Features, Safety of 1-(4-Chlorophenyl)thiourea, the publication is Polycyclic Aromatic Compounds (2022), 42(4), 1909-1919, database is CAplus.

2-Aminothiazoles have been synthesized by a one-pot, two-step sequential procedure in solution state which does not involve the isolation of intermediates. It involves α-halogenation of corresponding precursor ketones followed by condensation with substituted thiourea derivatives All the products were analyzed by IR, NMR, mass spectral techniques and four of them were evaluated crystallog. One of them crystallizes in the triclinic crystal system with space group P, while, all the other compounds crystallize in the monoclinic crystal system in two different space groups viz. P2₁/c and P2₁/n. The modified 2-aminothiazole core did not show any change in the intermol. interaction. The N-H… N interaction predominates over other interactions forming centrosym. head to head dimer with the neighboring atoms. This feature is observed in all the mols. except N-(4-(4-bromophenyl)-3-(2,5-dimethylphenyl)thiazol-2(3H)-ylidene)-2,5-dimethylaniline.

Polycyclic Aromatic Compounds published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Safety of 1-(4-Chlorophenyl)thiourea.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Ciordia, Myriam published the artcileApplication of Free Energy Perturbation for the Design of BACE1 Inhibitors, Name: (3-Chloro-5-cyanophenyl)boronic acid, the publication is Journal of Chemical Information and Modeling (2016), 56(9), 1856-1871, database is CAplus and MEDLINE.

Novel spiroaminodihydropyrroles probing for optimized interactions at the P3 pocket of β-secretase 1 (BACE1) were designed with the use of free energy perturbation (FEP) calculations The resulting mols. showed pIC₅₀ potencies in enzymic BACE1 inhibition assays ranging from approx. 5 to 7. Good correlation was observed between the predicted activity from the FEP calculations and exptl. activity. Simulations run with a default 5 ns approach delivered a mean unsigned error (MUE) between prediction and experiment of 0.58 and 0.91 kcal/mol for retrospective and prospective applications, resp. With longer simulations of 10 and 20 ns, the MUE was in both cases 0.57 kcal/mol for the retrospective application, and 0.69 and 0.59 kcal/mol for the prospective application. Other considerations that impact the quality of the calculations are discussed. This work provides an example of the value of FEP as a computational tool for drug discovery.

Journal of Chemical Information and Modeling published new progress about 915763-60-9. 915763-60-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitrile,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (3-Chloro-5-cyanophenyl)boronic acid, and the molecular formula is C7H5BClNO2, Name: (3-Chloro-5-cyanophenyl)boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Hancock, James R. published the artcileRetention index monitoring of compounds of chemical defense interest using thermal desorption gas chromatography, Synthetic Route of 1002-41-1, the publication is Journal of Chromatography (1991), 538(2), 249-57, database is CAplus.

Retention index monitoring using thermal desorption gas chromatog. anal. was developed as method for the verification of compounds of chem. defense interest in environmental matrixes. Gas chromatog. retention indexes were determined by loading solid adsorbent packed sampling tubes initially with the target compounds and subsequently with a series of n-alkane probes. The resulting chromatog. performance and gas chromatog. retention indexes were independent of the tube loading method. A data base of gas chromatog. retention indexes for chem. warfare agents and simulants was compiled and, in conjunction with simultaneous flame ionization and flame photometric detection, applied to the identification of tri-Et phosphate, tri-Bu phosphate, and di-Et malonate in water and soil samples.

Journal of Chromatography published new progress about 1002-41-1. 1002-41-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 1,2-Bis(2-chloroethyl)disulfane, and the molecular formula is C4H8Cl2S2, Synthetic Route of 1002-41-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Vega, B. published the artcileStudies on the fibre surfaces modified with xylan polyelectrolytes, HPLC of Formula: 6249-56-5, the publication is Carbohydrate Polymers (2012), 89(3), 768-776, database is CAplus and MEDLINE.

Xylan was isolated from birch wood chips by using pressurized hot water extraction (PHWE). The extracted xylan was chem. modified yielding three different xylan derivatives (XDs): xylan sulfate (XS), carboxymethyl xylan (CMX) and xylan-4-[N,N,N-trimethylammonium]butyrate chloride (XTMAB). The structure and mol. weight of XDs was determined by using NMR spectroscopy and size exclusion chromatog. (SEC). The potential utilization of xylan polyelectrolytes for modifying fiber surfaces was assessed by sorption experiments using bleached pine Kraft pulp as substrate. Polyelectrolyte titration method was chosen for estimating the amount of sorbed XDs onto the fibers. The cationic xylan derivative XTMAB had a strong interaction with fibers while the anionic derivatives did not show any sorption. XPS and time of flight secondary ion mass spectrometry (ToF-SIMS) were selected as advanced surface analyses for studying the amount of surface anionic groups and the surface distribution of the XTMAB. XPS and polyelectrolyte titration results suggested that the XTMAB is sorbed onto the fiber surfaces. ToF-SIMS imaging showed that XTMAB was evenly distributed on fiber surfaces.

Carbohydrate Polymers published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C44H58NO5PPdS, HPLC of Formula: 6249-56-5.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wondraczek, Holger published the artcileWater soluble photoactive cellulose derivatives: synthesis and characterization of mixed 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetic acid-(3-carboxypropyl)trimethylammonium chloride esters of cellulose, COA of Formula: C7H16ClNO2, the publication is Cellulose (Dordrecht, Netherlands) (2012), 19(4), 1327-1335, database is CAplus.

Photoactive derivatives of cellulose were prepared by a mild esterification of the biopolymer with 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetic acid via the activation of the carboxylic acid with N,N’-carbonyldiimidazole. Subsequently, modification with the cationic carboxylic acid (3-carboxypropyl)trimethylammonium chloride was carried out. Thus, water soluble polyelectrolytes decorated with high amounts of photochem. active chromene moieties were obtained. The structures of the novel polysaccharide esters and the polyelectrolytes were evaluated by means of NMR and IR spectroscopy. Moreover, the light triggered photodimerization of the chromene moieties of the photoactive polyelectrolytes was studied by means of UV-Vis spectroscopy in the dissolved state. The photochem. observed may be used to control the properties of the new polysaccharide derivatives and are thus of interest in the design of smart materials.

Cellulose (Dordrecht, Netherlands) published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C7H8BClO2, COA of Formula: C7H16ClNO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Esteva-Font, Cristina published the artcileStructure-activity analysis of thiourea analogs as inhibitors of UT-A and UT-B urea transporters, Recommanded Product: 1-(4-Chlorophenyl)thiourea, the publication is Biochimica et Biophysica Acta, Biomembranes (2015), 1848(5), 1075-1080, database is CAplus and MEDLINE.

Small-mol. inhibitors of urea transporter (UT) proteins in kidney have potential application as novel salt-sparing diuretics. The urea analog dimethylthiourea (DMTU) was recently found to inhibit the UT isoforms UT-A1 (expressed in kidney tubule epithelium) and UT-B (expressed in kidney vasa recta endothelium) with IC₅₀ of 2-3 mM, and was shown to have diuretic action when administered to rats. Here, we measured UT-A1 and UT-B inhibition activity of 36 thiourea analogs, with the goal of identifying more potent and isoform-selective inhibitors, and establishing structure-activity relationships. The analog set systematically explored modifications of substituents on the thiourea including alkyl, heterocycles and Ph rings, with different steric and electronic features. The analogs had a wide range of inhibition activities and selectivities. The most potent inhibitor, 3-nitrophenyl-thiourea, had an IC₅₀ of ∼ 0.2 mM for inhibition of both UT-A1 and UT-B. Some analogs such as 4-nitrophenyl-thiourea were relatively UT-A1 selective (IC₅₀ 1.3 vs. 10 mM), and others such as thioisonicotinamide were UT-B selective (IC₅₀ > 15 vs. 2.8 mM).

Biochimica et Biophysica Acta, Biomembranes published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Recommanded Product: 1-(4-Chlorophenyl)thiourea.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Davis, Rohan A. published the artcileSynthesis and spectroscopic characterisation of a combinatorial library based on the fungal natural product 3-chloro-4-hydroxyphenylacetamide, Related Products of chlorides-buliding-blocks, the publication is Magnetic Resonance in Chemistry (2007), 45(5), 442-445, database is CAplus and MEDLINE.

Parallel solution-phase chem. has yielded a series of secondary amide analogs of the fungal natural product 3-chloro-4-hydroxyphenylacetamide. 3-Chloro-4-hydroxyphenylacetic acid was coupled to a variety of primary amines using 1-ethyl-3-(3′-dimethylaminopropyl)-carbodiimide hydrochloride. The desired products were obtained in good yield and high purity following rapid silica purification All analogs were spectroscopically characterized using NMR, UV, IR and MS data. One compound displayed moderate cytotoxicity against the human melanoma and prostate cell lines, MM96L and DU145.

Magnetic Resonance in Chemistry published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Duan, Maosheng published the artcileDiscovery of N-benzyl-N’-(4-piperidinyl)urea CCR5 antagonists as anti-HIV-1 agents (II): Modification of the acyl portion, Application of 2-Chloroisonicotinic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2010), 20(24), 7401-7404, database is CAplus and MEDLINE.

Modification of the acyl moiety in the CCR5 lead mol. 2 led to identification of several new classes of CCR5 antagonists. Antiviral activity and pharmacokinetic properties of the synthesized compounds were evaluated. Structure-activity relationship (SAR) derived from these studies further guided the optimization efforts, ultimately leading to the discovery of 36 (I) with an acceptable drug-like profile.

Bioorganic & Medicinal Chemistry Letters published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Application of 2-Chloroisonicotinic acid.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Chen, Tiffany Q. published the artcileUnified Approach to Decarboxylative Halogenation of (Hetero)aryl Carboxylic Acids, Application In Synthesis of 6313-54-8, the publication is Journal of the American Chemical Society (2022), 144(18), 8296-8305, database is CAplus and MEDLINE.

A general catalytic method for direct decarboxylative halogenation of (hetero)aryl carboxylic acids RC(O)OH (R = 4-sulfamoylphenyl, 5-methylpyridin-2-yl, isoquinolin-1-yl, etc.) via ligand-to-metal charge transfer was reported. This strategy accommodates an exceptionally broad scope of substrates. An aryl radical intermediate is leveraged toward divergent functionalization pathways: (1) atom transfer to access bromo- or iodo(hetero)arenes or (2) radical capture by copper and subsequent reductive elimination to generate chloro- or fluoro(hetero)arenes. The proposed ligand-to-metal charge transfer mechanism is supported through an array of spectroscopic studies.

Journal of the American Chemical Society published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Application In Synthesis of 6313-54-8.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics