Tag: M.W=150-200

Mazurek, Mariusz published the artcileGC-MS identification of sulfur mustard transformation products in a mustard block retrieved from the Baltic Sea, Safety of 1,2-Bis(2-chloroethyl)disulfane, the publication is Biuletyn Wojskowej Akademii Technicznej (2000), 49(8), 89-100, database is CAplus.

The mustard block retrieved from the Baltic Sea has been analyzed using gas chromatog. coupled with mass spectrometry. The mass spectra of the examined samples were determined using electron ionization. In the mustard block have been detected about 36 compounds and 20 of which were identified. Among the identified compounds no thiodiglycols has been detected, which is the main product of sulfur mustard hydrolysis.

Biuletyn Wojskowej Akademii Technicznej 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, Safety of 1,2-Bis(2-chloroethyl)disulfane.

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

Liu, Congxing published the artcileNewly developed CK1-specific inhibitors show specifically stronger effects on CK1 mutants and colon cancer cell lines, Recommanded Product: 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is International Journal of Molecular Sciences (2019), 20(24), 6184, database is CAplus and MEDLINE.

Protein kinases of the CK1 family can be involved in numerous physiol. and pathophysiol. processes. Dysregulated expression and/or activity as well as mutation of CK1 isoforms have previously been linked to tumorigenesis. Among all neoplastic diseases, colon and rectal cancer (CRC) represent the fourth leading cause of cancer related deaths. Since mutations in CK1δ previously found in CRC patients exhibited increased oncogenic features, inhibition of CK1δ is supposed to have promising therapeutic potential for tumors, which present overexpression or mutations of this CK1 isoform. Therefore, it is important to develop new small mol. inhibitors exhibiting higher affinity toward CK1δ mutants. In the present study, we first characterized the kinetic properties of CK1δ mutants, which were detected in different tumor entities. Subsequently, we characterized the ability of several newly developed IWP-based inhibitors to inhibit wild type and CK1δ mutants and we furthermore analyzed their effects on growth inhibition of various cultured colon cancer cell lines. Our results indicate, that these compounds represent a promising base for the development of novel CRC therapy concepts.

International Journal of Molecular Sciences published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Recommanded Product: 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

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

Grigoray, Olga published the artcileFluorescent Multifunctional Polysaccharides for Sustainable Supramolecular Functionalization of Fibers in Water, Computed Properties of 6249-56-5, the publication is ACS Sustainable Chemistry & Engineering (2017), 5(2), 1794-1803, database is CAplus.

The paper describes the synthesis of multifunctional cellulose derivatives (MCD) containing a fluorescent- and a cationic moiety and their application in the functionalization of pulp fibers. The cellulose derivatives, namely N-(3-propanoic acid)- and N-(4-butanoic acid)-1,8-naphthalimide esters of cellulose, differed in the degree of substitution (DS) and by the aliphatic chain connecting naphtalimide photoactive groups to the polymer backbone. The derivatives were decorated with a cationic moiety, namely (3-carboxypropyl)trimethylammonium chloride. The fluorescent pulp fibers were prepared by direct self-assembly of the water-soluble fluorescent MCDs on the fibers in water at room temperature The results indicated that the adsorption was mainly driven by ion exchange mechanism. UV-vis- and fluorescence spectroscopic studies showed that the adsorption yield of the fluorescent MCDs depended on the length of the aliphatic chain of the photoactive groups. Because of the adsorption, the modified pulp fibers gained fluorescence in the visible part of the spectrum. Under the black light illumination, the modified fibers fluoresced, which made them visually distinguishable from the reference fibers. Thus, the fluorescent pulp fibers prepared in a simple way can be potentially used in fiber-based photoactive materials and authenticity indicators in papers and packaging.

ACS Sustainable Chemistry & Engineering 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 C7H16ClNO2, Computed Properties of 6249-56-5.

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

Vega, Beatriz published the artcilePreparation of reactive fiber interfaces using multifunctional cellulose derivatives, Computed Properties of 6249-56-5, the publication is Carbohydrate Polymers (2015), 261-273, database is CAplus and MEDLINE.

Cellulose fibers have poor reactivity and limited potential for surface engineering with advanced chem. functionalization in water. In this work, cellulose fibers were decorated with azide functions by charge-directed self-assembly of a novel water-soluble multifunctional cellulose derivative yielding reactive fibers. Propargylamine and 1-ethynylpyrene were utilized as a proof of concept that alkyne mols. may react with the azide functions of the reactive fibers via copper(I)-catalyzed azide-alkyne Huisgen cycloaddition (CuAAc) reaction in mild conditions. Chem. characterization of the fibers was carried out using classical techniques such as Raman-, fluorescence-, and UV-vis spectroscopy. Among other techniques, time-of-flight secondary ion mass spectrometry (ToF-SIMS), X-ray spectroscopy (XPS), two-photon microscopy (TPM), and inductively coupled plasma mass spectrometry (ICP-MS) were useful tools for addnl. characterization of the fibers decorated with amino- or photoactive groups. The information gathered in this work might contribute to the basis for the preparation of reactive cellulose-based interfaces with potential application in CuAAc reactions.

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, Computed Properties of 6249-56-5.

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

Vega, Beatriz published the artcileCharge-Directed Fiber Surface Modification by Molecular Assemblies of Functional Polysaccharides, Quality Control of 6249-56-5, the publication is Langmuir (2013), 29(44), 13388-13395, database is CAplus and MEDLINE.

Mol. assemblies, namely, polyelectrolyte complexes (PECs) composed of neg. charged xylan-based derivatives and a novel pos. charged cellulose derivative (CN⁺), were used for interfacial modification of wood fibers by charge directed self-assembly. The adsorption process was studied using polyelectrolyte titration and elemental anal. X-ray spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS) were used as advanced techniques for the characterization of the modified fiber surfaces. The measurements revealed an intense interaction between the pulp fibers and PECs, and provided essential information for a better understanding of the adsorption process. The information gathered on this paper might contribute to the basis for the development of new value added products by the use of underutilized biomass.

Langmuir 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 C10H9IO4, Quality Control of 6249-56-5.

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

Linghu, Xin published the artcileDevelopment of a Practical Synthesis of ERK Inhibitor GDC-0994, SDS of cas: 1263414-46-5, the publication is Organic Process Research & Development (2017), 21(3), 387-398, database is CAplus.

The process development of a synthetic route to manufacture ERK inhibitor GDC-0994, I, on multikilogram scale is reported herein. The API was prepared as the corresponding benzenesulfonate salt in 7 steps and 41% overall yield. The synthetic route features a biocatalytic asym. ketone reduction, a regioselective pyridone S_N2 reaction, and a safe and scalable tungstate-catalyzed sulfide oxidation The end-game process involves a telescoped S_NAr/desilylation/benzenesulfonate salt formation sequence. Finally, the development of the API crystallization allowed purging of process-related impurities, obtaining >99.5A% HPLC and >99% ee of the target mol.

Organic Process Research & Development published new progress about 1263414-46-5. 1263414-46-5 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Alkenyl,Benzene, name is 4-Chloro-3-fluorostyrene, and the molecular formula is C8H6ClF, SDS of cas: 1263414-46-5.

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

Bubert, Christian published the artcileSynthesis of aromatase inhibitors and dual aromatase steroid sulfatase inhibitors by linking an arylsulfamate motif to 4-(4H-1,2,4-triazol-4-ylamino)benzonitrile: SAR, crystal structures, in vitro and in vivo activities, Computed Properties of 33697-81-3, the publication is ChemMedChem (2008), 3(11), 1708-1730, database is CAplus and MEDLINE.

4-(((4-Cyanophenyl)(4H-1,2,4-triazol-4-yl)amino)methyl)phenyl sulfamate (I) was the first dual aromatase-sulfatase inhibitor (DASI) reported. Several series of its derivatives with various linker systems between the steroid sulfatase (STS) and the aromatase inhibitory pharmacophores were synthesized and evaluated in JEG-3 cells. The X-ray crystal structures of the aromatase inhibitors, DASI precursors II (n = 2, R¹ = R² = H) and III, and DASI II (n = 5, R¹ = H, R² = SO₂NH₂) were determined Nearly all derivatives show improved in vitro aromatase inhibition over I but decreased STS inhibition. The best aromatase inhibitor is II (n = 2, R¹ = Cl, R² = H) (IC₅₀ = 0.26 nM) and the best DASI is II (n = 2, R¹ = Cl, R² = SO₂NH₂) (IC_50aromatase = 0.45 nM, IC_50STS = 1200 nM). SAR for aromatase inhibition shows that compounds containing an alkylene- and thioether-based linker system are more potent than those that are ether-, sulfone-, or sulfonamide-based, and that the length of the linker has a limited effect on aromatase inhibition beyond two methylene units. Compounds II (R² = SO₂NH₂: n = 2, R¹ = H; n = 2, R¹ = Cl; n = 3, R¹ = H, n = 4, R¹ = H) were studied in vivo (10 mg kg^-1, single, p.o.). The most potent DASI is II (n = 2, R¹ = H, R² = SO₂NH₂), which inhibited PMSG-induced plasma estradiol levels by 92% and liver STS activity by 98% 3h after dosing. These results further strengthen the concept of designing and developing DASIs for potential treatment of hormone-related cancers.

ChemMedChem 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, Computed Properties of 33697-81-3.

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

Williams, A. H. published the artcileNew organic sulfur vesicants. II. Analogues of 2,2′-dichlorodiethyl sulfide and 2,2′-di(2-chloroethylthio)diethyl ether, Related Products of chlorides-buliding-blocks, the publication is Journal of the Chemical Society (1948), 38-42, database is CAplus and MEDLINE.

MeCH.CH₂.O (680 g.), introduced at the rate of 0.7 cc./min., and H₂S (throughput 45 l./h.) at 60° give 948 g. of product which yields 488 g. 2-hydroxy-1-propanethiol, b₈ 44.5-5°, n¹⁸_D 1.4850, and 390 g. 2,2′-dihydroxydipropyl sulfide (I), b₄ 125°. ClCH₂CHMeOH (b. 126-8°) and Na₂S in EtOH, refluxed 10 min., give I. I (50 g.) in 200 cc. CHCl₃, treated dropwise with 62 cc. SOCl₂ and refluxed 30 min., gives bis(2-chloropropyl) sulfide, b₁₀ 105°, m. -40°. EtCHO (58 g.) in 300 cc. AcOEt at -5°, treated dropwise (3 h.) with 45 g. Br in 100 cc. AcOEt, and the mixture poured into 500 cc. absolute EtOH and kept 18 h. at room temperature, give CHMeBrCH(OEt)₂, b₁₃ 67°; reaction with HSC₂H₄OH in EtONa-EtOH (refluxing 25 h.) gives α-(2-hydroxyethylmercapto)propionaldehyde di-Et acetal, b_0.5 87°; hydrolysis of 40 g. with 200 cc. 3% HCl (24 h.) gives α-(2-hydroxyethylmercapto)propionaldehyde, an oil, reduction of which with (iso-PrO)₃Al gives 2-hydroxyethyl 2-hydroxyisopropyl sulfide, b₅ 136-7°; SOCl₂ yields 2-chloroethyl 2-chloroisopropyl sulfide, b₇ 88°, b₁₂ 105°, m. -24.5° (sulfilimine, m. 132°). S(CH₂CH₂SCH₂CH₂OH)₂ (II) (C.A. 16, 409) and SOCl₂ in CHCl₃ (refluxed 30 min.) give 2,2′-bis(2-chloroethylmercapto)diethyl sulfide (III), m. 73-5° (chloroplatinate, mustard color, m. 136°; piperidide picrate, m. 180° (decomposition)). The Cl atom of III is removed by AgNO₃ in boiling EtOH in 5 min. and by boiling H₂O in 45 min. The following ethers were prepared from III and the appropriate phenol in EtOH-EtONa: diphenoxy, m. 59°; di-2-naphthoxy, m. 122°; bis(sym-tribromophenoxy), m. 107°; dieugenoxy, m. 86°; bis(phenylmercapto), m. 92-4°. III and NaI in MeOH, refluxed 10 min., give the bis(2-iodoethyl) analog, m. 102-3°; bis(2-thiocyanatoethyl) analog, m. 52°; the bis(2-cyanoethyl) analog could not be prepared, the reaction yielding (NCCH₂CH₂)₂S and dithiane. II and PBr₃ in CHCl₃, refluxed 2 h., give the bis(2-bromoethyl) analog, b_3.5 158-63.5° [bis(1-naphthylurethane), m. 150-2°]. (ClCH₂CH₂)₂S₂ b₅ 132-4° [bis(sym-tribromophenoxy) analog, m. 76°; dieugenoxy analog, m. 97°]. III in AcOH, treated with 6 mols. 30% H₂O₂ (1 h.) gives 2,2′-bis(2-chloroethylsulfonyl)diethyl sulfone, m. 174.5°; 2,2′-bis(2-hydroxyethylmercapto)diethyl sulfoxide, m. 57°; the sulfone m. 85-6°; the disulfide m. 79-81°; 2,2′-bis(2-chloroethylmercapto)diethyl sulfoxide, m. 63°; the sulfone m. 107-9°; 2,2′-bis(2-hydroxypropylmercapto)diethyl sulfide, m. 59°; di-2-Cl analog, m. 43.5°; 2,3-bis(2-hydroxyethylmercapto)-1,4-dioxane, oily [bis(1-naphthylurethane), m. 152°]; 2,3-bis(2-chloroethylmercapto)-1,4,-dioxane, b₁₅ 138-41°. 2-Hydroxyethyl 2-hydroxypropyl sulfide, b₈ 154°; 2-chloroethyl 2-chloropropyl sulfide, b₄ 88°, m. -23°. 2,2′-Bis(2-hydroxypropylmercapto)diethyl ether, b₅ 217-18°; di-2-Cl analog, b_0.02 95-8°. 2,2′-Bis(2-hydroxyethymercapto)dipropyl sulfide, b_1.5 240°; di-2-Cl analog. 2,2′-Bis(2-hydroxypropylmercapto)dipropyl sulfide, b_0.5 210°; di-2-Cl analog, b_0.02 108-9° (slight decomposition). If mustard gas is assigned an empirical vesicant power of 100, these compounds show values of 10 to 50.

Journal of the Chemical Society 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 C5H2ClF3N2, Related Products of chlorides-buliding-blocks.

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

Lutz, Toni published the artcileDevelopment of Highly Potent GAT1 Inhibitors: Synthesis of Nipecotic Acid Derivatives with N-Arylalkynyl Substituents, Name: 4-Chloro-2-methylphenylboronic acid, the publication is ChemMedChem (2017), 12(5), 362-371, database is CAplus and MEDLINE.

A new scaffold of highly potent and mGAT1-selective inhibitors has been developed. Compounds in this class are characterized by an alkyne-type spacer connecting nipecotic acid with an aromatic moiety. Preliminary evaluations made it apparent that a nipecotic acid derivative with an N-butynyl linker and a terminal 2-biphenyl residue exhibiting a binding affinity (pK_i) of 7.61±0.03 to mGAT1 and uptake inhibition (pIC₅₀) of 7.00±0.06 selective for mGAT1 could serve as a hit compound Docking calculations for compounds based on this structure in an hGAT1 homol. modeling study indicated binding affinities similar to or even higher than that of the well-known mGAT1 inhibitor tiagabine. Synthesis of the designed compounds was readily carried out by two consecutive cross-coupling reactions, giving flexible access to variously substituted biphenyl subunits. With an appropriate substitution pattern of the biphenyl moiety, the binding affinity of enantiopure (R)-nipecotic acid derivatives to mGAT1 increased to pK_i=8.33±0.01, and the uptake inhibitory potency up to pIC₅₀=7.72±0.02.

ChemMedChem published new progress about 209919-30-2. 209919-30-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is 4-Chloro-2-methylphenylboronic acid, and the molecular formula is C7H8BClO2, Name: 4-Chloro-2-methylphenylboronic acid.

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

Enomoto, Atsushi published the artcileMolecular Identification of a Novel Carnitine Transporter Specific to Human Testis. Insights into the Mechanism of Carnitine Recognition, SDS of cas: 6249-56-5, the publication is Journal of Biological Chemistry (2002), 277(39), 36262-36271, database is CAplus and MEDLINE.

L-Carnitine is an essential component of mitochondrial fatty acid β-oxidation and plays a pivotal role in the maturation of spermatozoa within the male reproductive tract. Epididymal plasma contains the highest levels of L-carnitine found in the human body, and initiation of sperm motility occurs in parallel to L-carnitine increase in the epididymal lumen. Using a specific carrier, epididymal epithelium secretes L-carnitine into the lumen by an active transport mechanism; however, the structure-activity relationship comprising the carnitine-permeation pathway is poorly understood. We discovered a novel carnitine transporter (CT2) specifically located in human testis. Analyzing the primary structure of CT2 revealed that it is phylogenetically located between the organic cation transporter (OCT/OCTN) and anion transporter (OAT) families. Hence, CT2 represents a novel transporter family. When expressed in Xenopus oocytes, CT2 mediates the high affinity transport of L-carnitine but does not accept mainstream OCT/OCTN cationic or OAT anionic substrates. We synthesized and tested various carnitine-related compounds and investigated the physicochem. properties of substrate recognition by semi-empirical computational chem. The data suggest that the quaternary ammonium cation bulkiness and relative hydrophobicity be the most important factors that trigger CT2-substrate interactions. Immunohistochem. showed that the CT2 protein is located in the luminal membrane of epididymal epithelium and within the Sertoli cells of the testis. The identification of CT2 represents an interesting evolutionary link between OCT/OCTNs and OATs, as well as provides us with an important insight into the maturation of human spermatozoa.

Journal of Biological Chemistry 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 C7H16ClNO2, SDS of cas: 6249-56-5.

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