Tag: M.W=150-200

Dhanya, Raveendra-Panickar; Sheffler, Douglas J.; Dahl, Russell; Davis, Melinda; Lee, Pooi San; Yang, Li; Nickols, Hilary Highfield; Cho, Hyekyung P.; Smith, Layton H.; D’Souza, Manoranjan S.; Conn, P. Jeffrey; Der-Avakian, Andre; Markou, Athina; Cosford, Nicholas D. P. published the artcile< Design and Synthesis of Systemically Active Metabotropic Glutamate Subtype-2 and -3 (mGlu2/3) Receptor Positive Allosteric Modulators (PAMs): Pharmacological Characterization and Assessment in a Rat Model of Cocaine Dependence>, Reference of 3964-57-6, the main research area is phenoxybutoxy benzoic acid preparation metabotropic glutamate receptor allosteric modulator.

As part of our ongoing small-mol. metabotropic glutamate (mGlu) receptor pos. allosteric modulator (PAM) research, we performed structure-activity relationship (SAR) studies around a series of group II mGlu PAMs. Initial analogs exhibited weak activity as mGlu2 receptor PAMs and no activity at mGlu3. Compound optimization led to the identification of potent mGlu2/3 selective PAMs with no in vitro activity at mGlu1,4-8 or 45 other CNS receptors. In vitro pharmacol. characterization of representative compound I indicated agonist-PAM activity toward mGlu2 and PAM activity at mGlu3. The most potent mGlu2/3 PAMs were characterized in assays predictive of ADME/T and pharmacokinetic (PK) properties, allowing the discovery of systemically active mGlu2/3 PAMs. On the basis of its overall profile, compound II was selected for behavioral studies and was shown to dose-dependently decrease cocaine self-administration in rats after i.p. administration. These mGlu2/3 receptor PAMs have significant potential as small mol. tools for investigating group II mGlu pharmacol.

Journal of Medicinal Chemistry published new progress about Drug dependence. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Reference of 3964-57-6.

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

Dana, Srikanta; Valissery, Praveesh; Kumar, Sharvan; Gurung, Sumiran Kumar; Mondal, Neelima; Dhar, Suman Kumar; Mukhopadhyay, Pritam published the artcile< Synthesis of Novel Ciprofloxacin-Based Hybrid Molecules toward Potent Antimalarial Activity>, Related Products of 17082-09-6, the main research area is chloroquinolone ciprofloxacin hybrid pharmacophore antimalarial.

Antimalarial drug resistance is a serious obstacle in the persistent quest to eradicate malaria. There is a need for potent chem. agents that are able to act on drug-resistant Plasmodium falciparum populations at reasonable concentrations without any related toxicity to the host. By rational drug design, we envisaged to address this issue by generating a novel hybrid drug possessing two pharmacophores that can act on two unique and independent targets within the cell. We synthesized a new class of ciprofloxacin-based hybrid mols., which have been integrated with acridine, quinolone, sulfonamide, and cinnamoyl pharmacophores. We realized a potent chloroquinolone-ciprofloxacin-based antimalarial hybrid (CQ-CFX) whose mechanism of action is unlike that of its parent mols. indicating a unique biol. target. CQ-CFX is not only potent against CQ-resistant and susceptible strains of Plasmodium falciparum at low nanomolar concentrations (IC50 values are 63.17 ± 1.2 nM and 25.52 ± 4.45 nM, resp.) but is also not toxic to mammalian and bacterial systems up to 20μM and 1μM, resp.

ACS Medicinal Chemistry Letters published new progress about Antimalarials. 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Related Products of 17082-09-6.

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

Cevher, Sevki Can; Hizalan, Gonul; Alemdar Yilmaz, Eda; Cevher, Duygu; Udum Arslan, Yasemin; Toppare, Levent; Yildirim, Erol; Cirpan, Ali published the artcile< A comprehensive study: Theoretical and experimental investigation of heteroatom and substituent effects on frontier orbitals and polymer solar cell performances>, Electric Literature of 27841-33-4, the main research area is benzochalcogendiazole polymer solar cell electronic optical photovoltaic property.

Benzochalcogendiazole derivatives are incorporated with thieno[3,4-c]pyrrole-4,6-dione (TPD) acceptor and 4,8-diethoxybenzo[1,2-b:4,5-b′]dithiophene donor to synthesize tree-component random copolymers. Four different copolymers are synthesized and their electronic, optical and photovoltaic properties are compared. Comparisons are aligned in the course of two different strategies, which are the replacement of benzochalcogendiazole moiety and the modification of side group on benzothiadiazole. Theor. calculations by comparing the HOMO-LUMO levels, band gaps and other electronic descriptors of pristine and 2 + 2 two acceptor-based copolymers are investigated. Random copolymer bearing benzoxadiazole moiety, PO exhibits the highest photovoltaic performance of 8.29% with a Jsc of 14.96 mA cm-2, Voc of 0.87 V, fill factor (FF) of 63.70%. PF possesses the highest Voc with a value of 0.88 V, Jsc of 14.40 mA cm-2, power conversion efficiency (PCE) of 7.32% with 58% FF. PS exhibits average feature with Jsc 11.82 mA cm-2, Voc 0.80 V, FF 50%, and 4.72% PCE. Lowest performing selenadiazole containing random copolymer (PSe) copolymer exhibits maximum PCE as 3.65%. These results demonstrate the promising effectiveness of benzoxadiazole selection as an alternative acceptor unit and F atom substitution for the design of (A1-D)-(A2-D) type random copolymers for organic solar cells.

Journal of Polymer Science (Hoboken, NJ, United States) published new progress about Adiabatic electron affinity. 27841-33-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H12N2O2, Electric Literature of 27841-33-4.

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

Haffner, Curt D.; Charnley, Adam K.; Aquino, Christopher J.; Casillas, Linda; Convery, Maire A.; Cox, Julie A.; Elban, Mark A.; Goodwin, Nicole C.; Gough, Peter J.; Haile, Pamela A.; Hughes, Terry V.; Knapp-Reed, Beth; Kreatsoulas, Constantine; Lakdawala, Ami S.; Li, Huijie; Lian, Yiqian; Lipshutz, David; Mehlmann, John F.; Ouellette, Michael; Romano, Joseph; Shewchuk, Lisa; Shu, Arthur; Votta, Bartholomew J.; Zhou, Huiqiang; Bertin, John; Marquis, Robert W. published the artcile< Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors>, Application In Synthesis of 85740-98-3, the main research area is pyrazolo carboxamide derivative preparation RIP2 kinase inhibitor cancer; receptor interacting protein kinase target cancer.

Herein we report the discovery of pyrazolocarboxamides as novel, potent, and kinase selective inhibitors of receptor interacting protein 2 kinase (RIP2). Fragment based screening and design principles led to the identification of the inhibitor series, and X-ray crystallog. was used to inform key structural changes. Through key substitutions about the N1 and C5 N positions on the pyrazole ring significant kinase selectivity and potency were achieved. Bridged bicyclic pyrazolocarboxamide 11 represents a selective and potent inhibitor of RIP2 and will allow for a more detailed investigation of RIP2 inhibition as a therapeutic target for autoinflammatory disorders.

ACS Medicinal Chemistry Letters published new progress about Anti-inflammatory agents. 85740-98-3 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Application In Synthesis of 85740-98-3.

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

Li, Rongrong; Yang, Zhipeng; Xu, Hui; Zhao, Hongkun published the artcile< Measurement and calculation of solid-liquid phase equilibrium for ternary 4-chlorophthalic anhydride + 3-chlorophthalic anhydride + acetone system>, Recommanded Product: 5-Chloroisobenzofuran-1,3-dione, the main research area is chlorophthalic acetone ternary system solid liquid phase equilibrium.

The solid-liquid phase equilibrium for ternary system of 4-chlorophthalic anhydride + 3-chlorophthalic anhydride + acetone was measured at different temperatures and the mutual solubility was obtained. Four isothermal phase diagrams were constructed according to the exptl. solubility There existed two pure solid phases at each temperature in the studied system, pure 4-chlorophthalic anhydride and pure 3-chlorophthalic anhydride, which were identified by the wet residue method of Schreinemakers’. The crystallization regions of the pure two solids increase with the decrease in temperature The exptl. solid-liquid phase equilibrium for ternary system was calculated using the Wilson and NRTL models, and the corresponding binary interaction parameters were obtained according to the solubility of binary system. The calculated results agree well with the exptl. data at different temperature Both the models give acceptable results for the investigated systems.

Fluid Phase Equilibria published new progress about Crystallization. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Recommanded Product: 5-Chloroisobenzofuran-1,3-dione.

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

Chen, Jiajia; Xia, Yuanzhi; Lee, Sunwoo published the artcile< Transamidation for the Synthesis of Primary Amides at Room Temperature>, Related Products of 17082-09-6, the main research area is primary amide synthesis transamidation tosyl amide lactam benzamide.

Various primary amides have been synthesized using the transamidation of various tertiary amides under metal-free and mild reaction conditions. When (NH4)2CO3 reacts with a tertiary amide bearing an N-electron-withdrawing substituent, such as sulfonyl and diacyl, in DMSO at 25°C, the desired primary amide product is formed in good yield with good functional group tolerance. In addition, N-tosylated lactam derivatives afforded their corresponding N-tosylamido alkyl amide products via a ring opening reaction.

Organic Letters published new progress about Amides Role: SPN (Synthetic Preparation), PREP (Preparation). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Related Products of 17082-09-6.

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

Terasaki, Masanori; Abe, Ryoko; Makino, Masakazu; Tatarazako, Norihisa published the artcile< Chronic toxicity of parabens and their chlorinated by-products in Ceriodaphnia dubia>, Formula: C8H7ClO3, the main research area is Ceriodaphnia paraben chlorinated byproduct chronic toxicity; Ceriodaphnia dubia; chlorinated by-products; chronic toxicity; multivariate analyses; preliminary risk assessment.

The chronic toxicity of 12 compounds of parabens and their chlorinated byproducts was investigated using 7-day Ceriodaphnia dubia test under static renewal condition in order to generate information on how to disinfect byproducts of preservatives that are discharged in aquatic systems. The mortality and inhibition of reproduction tended to increase with increasing hydrophobicity and decreased with the degree of chlorination of parabens. The EC50 values for mortality, offspring number, and first brood production ranged between 0.30-3.1, 0.047-12, and 1.3-6.3 mg L-1, resp. For the number of neonates, the most sensitive endpoint, the no-observed-effect concentration (NOEC) and lowest-observed-effect concentration (LOEC) values ranged from 0.63 to 10 mg L-1 and from 1.2 to 19 mg L-1, resp. Methylparaben (MP), benzylparaben (BnP), and dichlorinated BnP (Cl2BnP) elicited a significant decrease in offspring numbers even at their lowest concentration tested; the NOEC for these compounds was determined to be less than the lowest test concentration (1.3, 0.04, and 0.63 mg L-1 for MP, BnP, and Cl2BnP, resp.). Propylparaben (PP), chlorinated PP, isopropylparaben (iPP), and chlorinated iPP exhibited nonmonotonic concentration-dependent response; their NOEC and LOEC values could not be determined The multivariate approach involving principal component anal. and hierarchical cluster anal. revealed four groups that corresponded to the toxicol. profiles of parabens. Our results suggested that disinfection of parabens by chlorination could reduce aquatic toxicity of original compounds The findings obtained in our study together with the data available on paraben concentrations in aquatic systems can be used to perform preliminary risk assessment by comparing the predicted environmental concentration (PEC) with the predicted no-effect concentration (PNEC) for the marine aquatic environment. The calculated PEC/PNEC ratios ranged from 0.0012 to 0.2, with the highest value observed in MP. This suggested that there are negligible environmental risks for aquatic organisms at current use levels. © 2013 Wiley Periodicals, Inc. Environ Toxicol, 2013.

Environmental Toxicology published new progress about Aquatic toxicity. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Formula: C8H7ClO3.

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

Rajan, Ida Angel Priya Samuel; Subramani, Muthuraman; Pushparathinam, Gopinath; Rajendran, Saravanakumar published the artcile< Environmentally Benign Transamidation Protocol for Weakly Nucleophilic Aromatic Amines with N-Acyl-2-piperidinones: Catalyst-, Additive-, Base- and Solvent-Free Condition>, Recommanded Product: (E)-Cinnamoyl chloride, the main research area is amide chemoselective green preparation; amine acyl piperidinone transamidation.

Transamidation of weakly nucleophilic aromatic amines was achieved under melt conditions and in absence of catalyst, activating agent, base and solvent to obtain amides RC(O)NHR1 [R = Me, Ph, 4-ClC6H4, etc.; R1 = 4-MeC6H4, 4-FC6H4, 2-OHC6H4, etc.]. Chemoselectivity of the protocol was demonstrated with transamidation of aniline-bearing protic carboxylic acid group and wide range of anilines. Broad applicability of the process was demonstrated with the synthesis of bioactive natural product amide, Avenanthranamide-A. Byproduct was isolated for re-use in synthesis of starting amide, manifests atom economy and sustainability of the protocol. The developed protocol was environmentally benign, operationally simple yet versatile for protection-deprotection free synthesis of amides, peptides and amide-based drugs.

Asian Journal of Organic Chemistry published new progress about Amides Role: SPN (Synthetic Preparation), PREP (Preparation). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Recommanded Product: (E)-Cinnamoyl chloride.

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

Wan, Zhuoya; Sun, Jingjing; Xu, Jieni; Moharil, Pearl; Chen, Jing; Xu, Junchi; Zhu, Junjie; Li, Jiang; Huang, Yixian; Xu, Pengfei; Ma, Xiaochao; Xie, Wen; Lu, Binfeng; Li, Song published the artcile< Dual functional immunostimulatory polymeric prodrug carrier with pendent indoximod for enhanced cancer immunochemotherapy>, Application of C9H9Cl, the main research area is cancer immunostimulatory anticancer agent doxorubicin indoximod tumor microenvironment immunity; Immuno-oncology; Immunochemotherapy; Indoleamine 2,3-dioxygenase; Indoximod.

Immunotherapy based on checkpoint blockade has been regarded as one of the most promising approaches towards many types of cancers. However, low response rate hinders its application due to insufficient tumor immunogenicity and immunosuppressive tumor microenvironment. To achieve an overall enhanced therapeutic outcome, we developed a dual-functional immuno-stimulatory polymeric prodrug carrier modified with pendent indoximod, an indoleamine 2,3-dioxygenase (IDO) inhibitor that can be used to reverse immune suppression, for co-delivery of Doxorubicin (Dox), a hydrophobic anticancer agent that can promote immunogenic cell death (ICD) and elicit antitumor immunity. The resulted carrier denoted as POEG-b-PVBIND, consisting of poly (oligo (ethylene glycol) methacrylate) (POEG) hydrophilic blocks and indoximod conjugated hydrophobic blocks, is rationally designed to improve immunotherapy by synergistically modulating the tumor microenvironment (TME). Our data showed that Dox-triggered ICD promoted intra-tumoral infiltration of CD8+ T cells and IFN-γ-production by CD8+ T cells. Meanwhile, cleaved indoximod significantly increased CD8+ T cell infiltration while reducing the immunosuppressive T regulatory cells (Tregs). More importantly, Dox/POEG-b-PVBIND micelles led to significantly improved tumor regression in an orthotopic murine breast cancer model compared to both Dox-loaded POEG-b-PVB micelles (a control inert carrier) and POEG-b-PVBIND micelles alone, confirming combination effect of indoximod and Dox in improving the overall antitumor activity. Indoleamine 2,3-dioxygenase (IDO) is an enzyme that can induce immune suppressive microenvironment in tumors. As a well-studied IDO inhibitor, indoximod (IND) represents a promising agent for cancer immunotherapy and could be particularly useful in combination with other chemotherapeutic agents. However, three major problems hinder its application: (1) IND is barely soluble in water; (2) IND delivery efficiency is limited (3) simultaneous delivery of two agents into tumor site is still challenging. Currently, most reports largely focus on improving the pharmacokinetic profile of IND alone via different formulations such as IND prodrug and IND nanocrystal. However, there is limited information about IND based co-delivery systems, especially for delivering hydrophobic chemotherapeutic agents. Here, we developed a new dual-functional polymeric prodrug carrier modified with a number of pendent IND units (denoted as POEG-b-PVBIND). POEG-b-PVBIND shows immunostimulatory and antitumor activities by itself. More importantly, POEG-b-PVBIND polymer is able to self-assemble into nano-sized micelles that are highly effective in formulating and codelivering other hydrophobic agents including doxorubicin (Dox), sunitinib (Sun), and daunorubicin (Dau), which can elicit antitumor immunity via promoting immunogenic cell death (ICD). We have shown that our new combination therapy led to a significantly improved antitumor activity in an aggressive murine breast cancer model (4T1.2).

Acta Biomaterialia published new progress about Animal organ. 1592-20-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H9Cl, Application of C9H9Cl.

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

Rajput, Himadri; Changotra, Rahil; Kumar Sangal, Vikas; Dhir, Amit published the artcile< Photoelectrocatalytic treatment of recalcitrant compounds and bleach stage pulp and paper mill effluent using Au-TiO2 nanotube electrode>, Safety of 4-Chloro-2-methoxyphenol, the main research area is gold titanium dioxide chloroguaiacol nanotube photoelectrocatalytic treatment.

A simple anodization technique has been adopted for the synthesis of Au doped TiO2 nanotubes (Au/TiO2NTs) electrode. The physicochem. properties of Au/TiO2NTs electrodes have been studied using FE-SEM, Raman spectroscopy, FTIR, XRD, and UV-vis DRS anal. techniques and, compared with un-doped TiO2NTs electrodes. The optimization of process parameters has been carried out for the photoelectrocatalytic (PEC) degradation of 4-CG (4-Chloroguaiacol) under batch-mode experiments Au/TiO2 nanotube electrodes showed 84% degradation efficiency in 6 h under optimized conditions viz. 0.15 mM Au loading, 0.08 g L-1 electrolyte concentration, 0.03 A current and pH 3 under UV light irradiations. The degradation of 4-CG was validated with the quantification of generated ·OH and degradation intermediates/byproducts during the batch-mode PEC treatment. PEC degradation of 4-CG has also been assessed in recirculation mode to study the feasibility of synthesized Au/TiO2NTs electrodes to treat large volume of contaminant polluted wastewater. For the feasibility of industrial scale applications, pulp and paper mill effluent was subjected to the PEC degradation under recirculation mode using Au/TiO2NTs electrodes and significant reduction in COD and TOC values were observed Overall, the cost of elec. energy consumption was computed for all the batch and recirculation-mode PEC treatment of 4-CG as well as real pulp and paper mill effluent.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about Absorption. 16766-30-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H7ClO2, Safety of 4-Chloro-2-methoxyphenol.

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