Category: chlorides-buliding-blocks

Huang, Ke published the artcileSynthesis and biological evaluation of anthraquinone derivatives as allosteric phosphoglycerate mutase 1 inhibitors for cancer treatment, SDS of cas: 32333-53-2, the publication is European Journal of Medicinal Chemistry (2019), 45-57, database is CAplus and MEDLINE.

Phosphoglycerate mutase 1 (PGAM1) coordinates glycolysis, pentose phosphate pathway, and serine synthesis to promote tumor growth through the regulation of its substrate 3-phosphoglycerate (3 PG) and product 2-phosphoglycerate (2 PG). Herein, based on our previously reported PGAM1 inhibitor PGMI-004A, we have developed anthraquinone derivatives as novel allosteric PGAM1 inhibitors and the structure-activity relationship (SAR) was investigated. In addition, we determined the co-crystal structure of PGAM1 and the inhibitor 8g, demonstrating that the inhibitor was located at a novel allosteric site. Among the derivatives, compound 8t was selected for further study, with IC₅₀ values of 0.25 and approx. 5 μM in enzymic and cell-based assays, resp. Mechanistically, compound 8t reduced the glycolysis and oxygen consumption rate in cancer cells, which led to decreased ATP (ATP) production and subsequent 5′ adenosine monophosphate-activated protein kinase (AMPK) activation. The inhibitor 8t also exhibited good efficacy in delaying tumor growth in H1299 xenograft model without obvious toxicity. Taken together, this proof-of-principle work further validates PGAM1 as a potential target for cancer therapy and provides useful information on anti-tumor drug discovery targeting PGAM1.

European Journal of Medicinal Chemistry published new progress about 32333-53-2. 32333-53-2 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Sulfonyl chlorides,Benzene, name is 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride, and the molecular formula is C7H3Cl2F3O2S, SDS of cas: 32333-53-2.

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

Liang, Shuaishuai published the artcileCopper-Catalyzed Vicinal Chloro-thiolation of Alkynes with Sulfonyl Chlorides, Recommanded Product: Coumarin-6-sulfonyl chloride, the publication is Organic Letters (2018), 20(22), 7024-7028, database is CAplus and MEDLINE.

In the presence of CuCl, terminal and internal aryl and alkyl alkynes such as RCCH (R = 4-MeC₆H₄, Ph, 4-BuC₆H₄, 4-PhC₆H₄, 4-ClC₆H₄, 4-BrC₆H₄, 4-F₃CC₆H₄, 4-NCC₆H₄, 4-O₂NC₆H₄, 4-MeO₂CC₆H₄, 3-pyridinyl, PhCH₂, PhOCH₂, PhCH₂NMeCH₂, 1,3-dioxo-2-isoindolylmethyl, BrCH₂, ClCH₂CH₂CH₂) underwent regioselective and diastereoselective chlorothiolation with sulfonyl chlorides such as phenylsulfonyl chloride mediated by Ph₃P in DMF to yield (E)-chloroalkenyl thioethers such as (E)-RC(SPh):CHCl. The mechanism of the reaction was studied; evidence was obtained for thiyl radical intermediates, while DFT calculations of the intermediate chloroalkenyl copper complexes rationalized the observed regioselectivity.

Organic Letters published new progress about 10543-42-7. 10543-42-7 belongs to chlorides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Chloride,Sulfonyl chlorides,Ester, name is Coumarin-6-sulfonyl chloride, and the molecular formula is C9H5ClO4S, Recommanded Product: Coumarin-6-sulfonyl chloride.

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

Tan, Yi published the artcileSynthesis and antifungal activity of novel chiral indole analogues, Name: 2-Chloroisonicotinic acid, the publication is Natural Product Research, database is CAplus and MEDLINE.

Starting from L-tryptophan, 19 new N-substituted chiral indole analogs were synthesized. The prepared compounds were evaluated for biol. activity against Sclerotinia sclerotiorum, Alternaria solani, Verticillium dahliae, Colletotrichum orbiculare, Cytospora juglandis and Curvularia lunata. The preliminary bioassays showed that most of the synthesized compounds exhibited fungicidal activity. Compound in particular exhibited significant antifungal activity against Verticillium dahliae and Sclerotinia sclerotiorum, with the MIC value of 1.95 μg mL-1. Compound also showed excellent activity against six plant pathogen fungi, and was identified as the most active on the biol. assays, and will be studied further.

Natural Product Research 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 C20H12N2O2, Name: 2-Chloroisonicotinic acid.

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

Park, Jihye published the artcileControlled Generation of Singlet Oxygen in Living Cells with Tunable Ratios of the Photochromic Switch in Metal-Organic Frameworks, Category: chlorides-buliding-blocks, the publication is Angewandte Chemie, International Edition (2016), 55(25), 7188-7193, database is CAplus and MEDLINE.

Development of a photosensitizing system that can reversibly control the generation of singlet oxygen (¹O₂) is of great interest for photodynamic therapy (PDT). Recently several photosensitizer-photochromic-switch dyads were reported as a potential means of the ¹O₂ control in PDT. However, the delivery of such a homogeneous mol. dyad as designed (e.g., optimal molar ratio) is extremely challenging in living systems. Herein we show a Zr-MOF nanoplatform, demonstrating energy transfer-based ¹O₂ controlled PDT. Our strategy allows for tuning the ratios between photosensitizer and the switch mol., enabling maximum control of ¹O₂ generation. Meanwhile, the MOF provides proximal placement of the functional entities for efficient intermol. energy transfer. As a result, the MOF nanoparticle formulation showed enhanced PDT efficacy with superior ¹O₂ control compared to that of homogeneous mol. analogs.

Angewandte Chemie, International Edition published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C15H14Cl2S2, Category: chlorides-buliding-blocks.

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

Peng, Liang published the artcileSurrogate based accurate quantification of endogenous acetylcholine in murine brain by hydrophilic interaction liquid chromatography-tandem mass spectrometry, Name: 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, the publication is Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences (2011), 879(32), 3927-3931, database is CAplus and MEDLINE.

Cholinergic dysfunction is known as a hallmark feature of Alzheimer’s disease (AD). Measurement of endogenous acetylcholine (ACh) in specific brain regions is important in understanding the pathol. of AD and in designing and evaluating novel cholinomimetic agents for the treatment of AD. Since ACh is an endogenous neurotransmitter, there is no real blank matrix available to construct standard curves. It has been a challenging task to determine ACh in complex brain matrixes. To overcome these difficulties, we employed a surrogate analyte strategy using ACh-d₄ instead of ACh to generate calibration curves and Ch-d₉ as internal standard (IS). The brain samples were deproteinized by acetonitrile with IS. Analytes and IS were separated by a HILIC column with the mobile phase composed of 20 mM ammonium formate in water-acetonitrile (30:70, volume/volume, adjusted to pH 3.0 with formic acid) and monitored in multiple reaction monitoring (MRM) mode using a pos. electrospray source. The concentrations of endogenous ACh were calculated based on the peak area ratio of the analyte to the IS using a regression equation for the corresponding surrogate standard (ACh-d₄). The lower limit of detection was 0.2 ng/mL and linearity was maintained over the range of 10-1000 ng/mL. Compared to other currently available methods, this approach offers improved accuracy and precision for efficient anal. of ACh. The proposed method was proved successfully by evaluating the action of typical acetylcholinesterase inhibitor huperzine A in senescence accelerated mouse prone 8 (SAMP8).

Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences 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, Name: 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride.

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

Zeid, I. F. published the artcileReactions with coumarin. VII, Safety of Coumarin-6-sulfonyl chloride, the publication is Afinidad (2003), 60(504), 215-219, database is CAplus.

Coumarin-6-sulfonamides I (n = 1, X = NH; n = 2, X = O, S) were synthesized by reactions of coumarin-6-sulfonyl chloride with semicarbazide, thiosemicarbazide and guanidine, resp.. The subsequent treatment of I with di-Et malonate, acetylacetone, and Et acetoacetate gave the corresponding pyrimidine derivatives, e.g. II (X = O, S) from the reaction with di-Et malonate.

Afinidad published new progress about 10543-42-7. 10543-42-7 belongs to chlorides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Chloride,Sulfonyl chlorides,Ester, name is Coumarin-6-sulfonyl chloride, and the molecular formula is C8H11BO2, Safety of Coumarin-6-sulfonyl chloride.

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

Yoshii, Yoshihiro published the artcileFriedel-Crafts phenylsulfonylation of o-xylene, indan, and tetralin in nitrobenzene, Computed Properties of 61551-49-3, the publication is Nippon Kagaku Kaishi (1986), 1117-21, database is CAplus.

Friedel-Crafts reactions of o-xylene, indan, and tetralin with PhSO₂Cl in the presence of AlCl₃ in PhNO₂ were studied in relation to temperature effects on isomer distribution under kinetic conditions. In indan, the isomer ratio (3 to 4) increased with temperature, while the ratio (3 to 4) decreased in o-xylene and in tetralin. Differences of activation energies and activation entropies in the 3- and 4-position for o-xylene, indan, and tetralin were -0.39 kcal/mol, -2.0 e.u./mol; 0.16, -0.2; and -0.31, -1.5. Isokinetic temperature were -81 and -62° for o-xylene and tetralin, resp. These results suggest that the 3-position of o-xylene or tetralin is more reactive than the 4-position, whereas the 4-position is more reactive in indan. The reaction proceeded with a concerted mechanism in which strong acid-catalytic effect by AlCl₃ and base-catalyzed deprotonation by solvent and/or AlCl₄^– on the 3-position were observed in o-xylene and tetralin.

Nippon Kagaku Kaishi published new progress about 61551-49-3. 61551-49-3 belongs to chlorides-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 5,6,7,8-Tetrahydronaphthalene-2-sulfonyl chloride, and the molecular formula is C25H23NO4, Computed Properties of 61551-49-3.

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

Shinohara, Naoki published the artcileSelective Modification of the N-Terminal Structure of Polytheonamide B Significantly Changes its Cytotoxicity and Activity as an Ion Channel, Safety of 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, the publication is ChemMedChem (2012), 7(10), 1770-1773, S1770/1-S1770/7, database is CAplus and MEDLINE.

Polytheonamide B is an extremely cytotoxic natural product and is the largest nonribosomal peptide that has been described to date. Polytheonamide B is a linear chain polypeptide containing an N-terminal 5,5-dimethyl-2-oxohexanoate group (Ncap) and 48 amino acid residues of alternating D– and L-chirality; in addition, the secondary structure of this peptide was recently reported to be a remarkable β^6,3 helix with a length of approx. 45 Å. This helical tube structure is thought to function as a transmembrane ion channel in which the 4 Å hydrophobic pore provides a path for ion translocation. Planar bilayer experiments have previously demonstrated that the monomeric form of polytheonamide B functions as a monovalent cation-selective channel. The present work describes the synthesis of seven derivatives of polytheonamide B and examines the effect of N-terminal modification on cytotoxicity and ion channel activity.

ChemMedChem 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 C20H17FO4S, Safety of 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride.

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

Palii, G. K. published the artcileStudy of Candida fungus sensitivity to antimicrobial drugs, Safety of N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, the publication is Antibiotiki i Meditsinskaya Biotekhnologiya (1986), 31(3), 218-20, database is CAplus.

Fifty strains of Candida (C. albicans 28, C. tropicalis 18, and C. pseudotropicalis 4 strains) were tested in vitro against 5 fungicides: amphotericin B, levorin, decamethoxine, enteroseptol, and intestopan. Decamethoxine was the most active drug, as it inhibited 78% of the strains at 0.08-6.25 μg/mL concentration; at 12.5 μg/mL, the drug showed fungicidal activity against 20% of the strains. Levorin and amphotericin B displayed antifungal activity at 50 μg/mL concentration At 3.9-7.8, μg/mL enteroseptol inhibited 78% of the strains. Intestopan was the least active compound Development of resistance to decamethoxine was slow, and there was no cross-resistance between decamethoxine and levorin.

Antibiotiki i Meditsinskaya Biotekhnologiya published new progress about 38146-42-8. 38146-42-8 belongs to chlorides-buliding-blocks, auxiliary class Achiral Phase-Transfer Catalysts, name is N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, and the molecular formula is C38H74Cl2N2O4, Safety of N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride.

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

Pijper, Thomas C. published the artcilePosition and Orientation Control of a Photo- and Electrochromic Dithienylethene Using a Tripodal Anchor on Gold Surfaces, Synthetic Route of 219537-97-0, the publication is Journal of Physical Chemistry C (2015), 119(7), 3648-3657, database is CAplus.

A tripodal system for anchoring photochromic dithienylethenes on gold surfaces is reported. The self-assembled monolayers of a tripod-functionalized dithienylethene were characterized by cyclic voltammetry, surface-enhanced Raman spectroscopy (SERS), and XPS. These data are compared with solution studies, solid state Raman spectroscopy, and d. functional theory (DFT) calculations We show that the tripod-functionalized dithienylethene forms stable monolayers on gold in which all three legs of the tripod are adsorbed via the thiol units, thus providing a fixed position and orientation of the dithienylethene moiety with respect to the surface. Importantly, immobilization in this way allows for retention of both the photochem. and electrochem. functionality of the dithienylethene unit and reduces photochem. fatigue observed in solution

Journal of Physical Chemistry C published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C15H14Cl2S2, Synthetic Route of 219537-97-0.

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