Category: 22717-55-1

Mori, Nobuo; Asano, Yuzuru; Irie, Toshiko; Tsuzuki, Yojiro published the artcile< Intramolecular hydrogen bonds. XIII. Preferable conformation of α-hydroxy carboxylic and o-hydroxybenzoic acids>, Product Details of C8H7ClO3, the main research area is salicylates conformation IR; conformation IR salicylates; IR conformation salicylates; mandelates conformation IR; hydroxybutyrates conformation IR.

The ir hydroxyl and carbonyl stretching absorption spectra of salicylic, mandelic, and a-hydroxyisobutyric acid (I) were measured in dilute CCl4. The spectral data indicate that the first two acids exist exclusively in an internally bonded conformation, one where the phenolic and the alc. hydroxyl groups form a H bond with the carbonyl O atom of the cis-carboxyl structure, while I takes, apart from such a conformation, another internally bonded conformation, one where the hydroxyl group of the trans-carboxyl structure interacts with the alc. O atom.

Bulletin of the Chemical Society of Japan published new progress about Conformation. 22717-55-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Product Details of C8H7ClO3.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Zhang, Wei; Zheng, Suqing; Liu, Na; Werness, Jenny B.; Guzei, Ilia A.; Tang, Weiping published the artcile< Enantioselective bromolactonization of conjugated (Z)-enynes>, Synthetic Route of 22717-55-1, the main research area is lactone derivative asym preparation; conjugated enyne preparation bromolactonization cinchona.

A catalytic enantioselective syn-1,4-bromolactonization of conjugated (Z)-enynes was reported. Diastereomeric ratios >20:1 and up to 99% enantiomeric excesses were observed Di-, tri-, and tetra-substituted bromoallenes were prepared together with lactone heterocycles efficiently and stereoselectively. Preliminary investigations suggest that the chiral catalyst may serve as a bifunctional reagent by interacting with both a carboxylic acid nucleophile and NBS electrophile.

Journal of the American Chemical Society published new progress about Alkenynes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 22717-55-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Synthetic Route of 22717-55-1.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Liu, Renbo; Deng, Xiangping; Peng, Yijiao; Feng, Wanshi; Xiong, Runde; Zou, Yang; Lei, Xiaoyong; Zheng, Xing; Xie, Zhizhong; Tang, Guotao published the artcile< Synthesis and biological evaluation of novel 5,6,7-trimethoxy flavonoid salicylate derivatives as potential anti-tumor agents>, Related Products of 22717-55-1, the main research area is flavonoid antitumor microtubules HIF1 alpha glycolysis VEGF gastric cancer; Anti-tumor; Flavonoid; Glycolysis; HIF-1α; Microtubules.

5,6,7-Trimethoxy flavonoid salicylate derivatives were designed by the joining of three important pharmacophores (TMP, flavonoid, and SA) according to the combination principle. A series of novel trimethoxy flavonoid salicylate derivatives were synthesized and their in vitro anti-tumor activities were evaluated. Among these derivatives, compound 7f exhibited excellent antiproliferative activity against HGC-27 cells and MGC-803 cells with IC50 values of 10.26 ± 6.94 μM and 17.17 ± 3.03 μM, resp. Subsequently, the effects on cell colony formation (clonogenic survival assay), cell migration (wound healing assay), cell cycle distribution (PI staining assay), cell apoptosis (Hoechst 33258 staining assay and annexin V-FITC/PI dual staining assay), lactate level (lactate measurement), microtubules disarrangement (immunofluorescence staining anal.) and docking posture (mol. docking simulation) were determined Further western blot anal. confirmed that compound 7f could effectively down-regulate the expression of glycolysis-related proteins HIF-1α, PFKM and PKM2 and tumor angiogenesis-related proteins VEGF. Overall, these studies suggested that compound 7f, as the representative compound of those, might be a promising candidate for the treatment of gastric cancer and deserved the further studies.

Bioorganic Chemistry published new progress about Antitumor agents. 22717-55-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Related Products of 22717-55-1.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Carrillo-Arcos, Ulises A.; Porcel, Susana published the artcile< Gold promoted arylative cyclization of alkynoic acids with arenediazonium salts>, SDS of cas: 22717-55-1, the main research area is benzoheterocyclic compound preparation; alkynoic acid arenediazonium salt arylative cyclization.

Alkynoic acids derived from salicylic acid and analogs undergo arylative cyclization with arenediazonium salts promoted by gold in the absence of external ligands. The reaction is thermally induced and proceeds even in the absence of light. A difference in regioselectivity has been found compared with that observed in the cycloisomerization process of the same type of compounds

Organic & Biomolecular Chemistry published new progress about Carboxylic acids, alkynyl Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 22717-55-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, SDS of cas: 22717-55-1.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Wang, Le; Sullivan, Gerard M.; Hexamer, Laura A.; Hasvold, Lisa A.; Thalji, Reema; Przytulinska, Magdalena; Tao, Zhi-Fu; Li, Gaoquan; Chen, Zehan; Xiao, Zhan; Gu, Wen-Zhen; Xue, John; Bui, Mai-Ha; Merta, Philip; Kovar, Peter; Bouska, Jennifer J.; Zhang, Haiying; Park, Chang; Stewart, Kent D.; Sham, Hing L.; Sowin, Thomas J.; Rosenberg, Saul H.; Lin, Nan-Horng published the artcile< Design, Synthesis, and Biological Activity of 5,10-Dihydro-dibenzo[b,e][1,4]diazepin-11-one-Based Potent and Selective Chk-1 Inhibitors>, Application In Synthesis of 22717-55-1, the main research area is benzodiazepinone preparation heterocyclization Suzuki coupling; check point kinase Chk1 inhibitor human; cancer anticancer structure activity pharmacokinetics.

A novel series of 5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-ones have been synthesized as potent and selective checkpoint kinase 1 (Chk1) inhibitors via structure-based design. Aided by protein X-ray crystallog., medicinal chem. efforts led to the identification of I, with potent enzymic activity against Chk1 kinase. While maintaining a low cytotoxicity of its own, I exhibited a strong ability to abrogate G2 arrest and increased the cytotoxicity of camptothecin by 19-fold against SW620 cells. Pharmacokinetic studies revealed that it had a moderate bioavailability of 20% in mice. Two important binding interactions between II and Chk1 kinase, revealed by X-ray cocrystal structure, were hydrogen bonds between the hinge region and the amide bond of the core structure and a hydrogen bond between the methoxy group and Lys38 of the protein.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 22717-55-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Application In Synthesis of 22717-55-1.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Gensini, Martina; Altamura, Maria; Dimoulas, Tula; Fedi, Valentina; Giannotti, Danilo; Giuliani, Sandro; Guidi, Antonio; Harmat, Nicholas J. S.; Meini, Stefania; Nannicini, Rossano; Pasqui, Franco; Tramontana, Manuela; Triolo, Antonio; Maggi, Carlo Alberto published the artcile< Modulation on C- and N-Terminal Moieties of a Series of Potent and Selective Linear Tachykinin NK2 Receptor Antagonists>, Synthetic Route of 22717-55-1, the main research area is tachykinin NK2 receptor antagonist preparation structure activity.

Herein we describe the synthesis of a series of new potent tachykinin NK2 receptor antagonists by the modulation of the C- and N-terminal moieties of ibodutant (MEN 15596, 1). The N-terminal benzo[b]thiophene ring was replaced by different substituted naphthalenes and benzofurans, while further modifications were evaluated at the C-terminal tetrahydropyran moiety. Most compounds demonstrated a high affinity for the human NK2 receptor and high in vitro antagonist potency, indicating that a wide range of substituents at both termini can be incorporated in the mol. without detrimental effects on the interactions with the NK2 receptor. Selected compounds were tested in vivo confirming their activity as NK2 antagonists. In particular, after both iv and id administration to guinea pig, compound 61 b was able to antagonize NK2-induced colonic contractions with a potency and duration-of-action fully comparable to the reference compound 1 (MEN 15596, ibodutant).

ChemMedChem published new progress about Colon (contractions). 22717-55-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Synthetic Route of 22717-55-1.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Naganawa, Atsushi; Saito, Tetsuji; Nagao, Yuuki; Egashira, Hiromu; Iwahashi, Maki; Kambe, Tohru; Koketsu, Masatoshi; Yamamoto, Hiroshi; Kobayashi, Michiyoshi; Maruyama, Takayuki; Ohuchida, Shuichi; Nakai, Hisao; Kondo, Kigen; Toda, Masaaki published the artcile< Discovery of new chemical leads for selective EP1 receptor antagonists>, COA of Formula: C8H7ClO3, the main research area is prostanoid receptor antagonist phenylsulfonyl benzoate preparation SAR.

A series of 4-({2-[alkyl(phenylsulfonyl)amino]phenoxy}methyl)benzoic acids were identified as functional PGE2 antagonists with selectivity for the EP1 receptor subtype starting from a chem. lead I, which was found while screening our inhouse compound library. Discovery of the optimized analogs is presented here and structure-activity relationships (SAR) are also discussed.

Bioorganic & Medicinal Chemistry published new progress about Prostanoid receptor PTGER4 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 22717-55-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, COA of Formula: C8H7ClO3.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Mori, Nobuo; Asano, Yuzuru; Tsuzuki, Yojiro published the artcile< Intramolecular hydrogen bonds. XIV. Correlation of the hydroxyl and the carbonyl frequencies of methyl salicylates with Hammett substituent constants>, SDS of cas: 22717-55-1, the main research area is salicylates Hammett constant; Hammett constant salicylates.

The ir OH and C(O) stretching spectra of methyl 4- or 5-substituted salicylates were measured in dilute CCl4, and the resp. peak-frequencies correlated with ordinary Hammett σ-constant The best linear relation was established between the γOH and the (σOH-0.38 σCO2Me) values and between the γC(O) and the (σCO2Me-0.49σOH) values, where σOH and σCO2Me are the σ-constant of a substituent with respect to the OH and the CO2Me group, resp. Besides, in other internally bonded phenol systems, including o-bromophenols, 2,6-dihalophenols, and salicylic acids, the plotting of the OH frequencies against the (σOH-Aσx) values gave the best linear relation, where A is a constant depending on the kind of proton acceptor, X. The value of A can be a measure of the electronic effects of the substituent, influencing the bonded OH frequency through X.

Bulletin of the Chemical Society of Japan published new progress about Hydrogen bond. 22717-55-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, SDS of cas: 22717-55-1.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Anderson, Marc O.; Sherrill, John; Madrid, Peter B.; Liou, Ally P.; Weisman, Jennifer L.; DeRisi, Joseph L.; Guy, R. Kiplin published the artcile< Parallel synthesis of 9-aminoacridines and their evaluation against chloroquine-resistant Plasmodium falciparum>, SDS of cas: 22717-55-1, the main research area is synthesis antimalarial aminoacridine derivative.

A parallel synthetic strategy to the 9-aminoacridine scaffold of the classical antimalarial drug quinacrine is presented. The method features a new route to 9-chloroacridines that utilizes triflates of salicylic acid derivatives, which are com. available in a variety of substitution patterns. The route allows ready variation of the 2 diversity elements present in this class of mols.: the tricyclic aromatic heterocyclic core, and the disubstituted diamine side-chain. In this study, a library of 175 compounds was designed, although only 93 of the final products had purities acceptable for screening. Impurity was generally due to incomplete removal of 9-acridones, a degradation product of the 9-chloroacridine synthetic intermediates. The library was screened against two strains of P. falciparum, including a model of the drug-resistant parasite, and 6 novel compounds were found to have IC50 values in the low nanomolar range.

Bioorganic & Medicinal Chemistry published new progress about Antimalarials. 22717-55-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, SDS of cas: 22717-55-1.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Liu, Jinggong; Liu, Weilin; Ge, Hu; Gao, Jinbo; He, Qingqing; Su, Lijuan; Xu, Jun; Gu, Lian-quan; Huang, Zhi-shu; Li, Ding published the artcile< Syntheses and characterization of non-bisphosphonate quinoline derivatives as new FPPS inhibitors>, Computed Properties of 22717-55-1, the main research area is non bisphosphonate quinoline derivative preparation FPPS geranyltransferase inhibitor cancer; 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-tetrazolium bromide; Allosteric site; BPs; BSA; Bisphosphonate; Cancer; DL-dithiothreitol; DTT; FPPS; Farnesyl pyrophosphate synthase; HAP; MTT; Quinoline derivative; Tris; bisphosphonates; bovine serum albumin; farnesyl pyrophosphate synthase; hydroxyapatite; tris(hydroxymethyl)aminomethane.

Background: Farnesyl pyrophosphate synthase (FPPS) is a key regulatory enzyme in the biosynthesis of cholesterol and in the post-translational modification of signaling proteins. It has been reported that non-bisphosphonate FPPS inhibitors targeting its allosteric binding pocket are potentially important for the development of promising anti-cancer drugs. Methods: The following methods were used: organic syntheses of non-bisphosphonate quinoline derivatives, enzyme inhibition studies, fluorescence titration assays, synergistic effect studies of quinoline derivatives with zoledronate, ITC studies for the binding of FPPS with quinoline derivatives, NMR-based HAP binding assays, mol. modeling studies, fluorescence imaging assay and MTT assays. Results: We report our syntheses of a series of quinoline derivatives as new FPPS inhibitors possibly targeting the allosteric site of the enzyme. Compound 6b showed potent inhibition to FPPS without significant hydroxyapatite binding affinity. The compound showed synergistic inhibitory effect with active-site inhibitor zoledronate. ITC experiment confirmed the good binding effect of compound 6b to FPPS, and further indicated the binding ratio of 1:1. Mol. modeling studies showed that 6b could possibly bind to the allosteric binding pocket of the enzyme. The fluorescence microscopy indicated that these compounds could get into cancer cells. Conclusions: Our results showed that quinoline derivative 6b could become a new lead compound for further optimization for cancer treatment. General significance: The traditional FPPS active-site inhibitors bisphosphonates show poor membrane permeability to tumor cells, due to their strong polarity. The development of new non-bisphosphonate FPPS inhibitors with good cell membrane permeability is potentially important.

Biochimica et Biophysica Acta, General Subjects published new progress about Antitumor agents. 22717-55-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Computed Properties of 22717-55-1.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics