Month: October 2021

I found the field of Pharmacology & Pharmacy very interesting. Saw the article Escaping from Flatland: Antimalarial Activity of sp(3)-Rich Bridged Pyrrolidine Derivatives published in 2020. HPLC of Formula: C7H4Cl2O2, Reprint Addresses Cox, B (corresponding author), Univ Sussex, Photodivers Ltd, Sch Life Sci, Brighton BN1 9QJ, E Sussex, England.. The CAS is 50-84-0. Through research, I have a further understanding and discovery of 2,4-Dichlorobenzoic acid

We utilized synthetic photochemistry to generate novel sp 3 -rich scaffolds and report the design, synthesis, and biological testing of a diverse series of amides based on the 1-(amino-methyl)-2-benzyl-2-azabicyclo[2.1.1]hexane scaffold. Preliminary antimalarial screening of the library provided promising compounds with activity in the 1-5 mu M range with an enhanced hit rate. Further evaluation (solubility, drug metabolism and pharmacokinetics (DMPK), and toxicity) of a selected compound (9) suggested that this series represents an excellent opportunity for further optimization with the framework offering multiple opportunities for the addition of uniquely vectorally positioned extra functionality.

About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Cox, B; Duffy, J; Zdorichenko, V; Bellanger, C; Hurcum, J; Laleu, B; Booker-Milburn, KI; Elliott, LD; Robertson-Ralph, M; Swain, CJ; Bishop, SJ; Hallyburton, I; Anderson, M or concate me.. HPLC of Formula: C7H4Cl2O2

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

Name: 2,6-Dichlorobenzoic acid. Recently I am researching about SP STRAIN HBP1; HYDROLYTIC DEHALOGENATION; DEGRADATION; BAM; DICHLOBENIL; GENES; ACID; 4-CHLOROBENZOATE; 3-CHLOROBENZOATE; 2,3-DIOXYGENASE, Saw an article supported by the KU Leuven Cl project [C14/15/043]; BELSPO IAP-project mu-manager [P7/25]; FWOFWO [12Q0215N, 12Q0218N]; Swiss National Science Foundation (SNSF)Swiss National Science Foundation (SNSF) [206021150638/1]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Raes, B; Horemans, B; Rentsch, D; T’Syen, J; Ghequire, MGK; De Mot, R; Wattiez, R; Kohler, HPE; Springael, D. The CAS is 50-30-6. Through research, I have a further understanding and discovery of 2,6-Dichlorobenzoic acid

2,6-Dichlorobenzamide (BAM) is a major groundwater micropollutant posing problems for drinking water treatment plants (DWTPs) that depend on groundwater intake. Aminobacter sp. MSH1 uses BAM as the sole source of carbon, nitrogen, and energy and is considered a prime biocatalyst for groundwater bioremediation in DWTPs. Its use in bioremediation requires knowledge of its BAM-catabolic pathway, which is currently restricted to the amidase BbdA converting BAM into 2,6-dichlorobenzoic acid (2,6-DCBA) and the monooxygenase BbdD transforming 2,6-DCBA into 2,6-dichloro-3-hydroxybenzoic acid. Here, we show that the 2,6-DCBA catabolic pathway is unique and differs substantially from catabolism of other chlorobenzoates. BbdD catalyzes a second hydroxylation, forming 2,6-dichloro-3,5-dihydroxybenzoic acid. Subsequently, glutathione-dependent dehalogenases (BbdI and BbdE) catalyze the thiolytic removal of the first chlorine. The remaining chlorine is then removed hydrolytically by a dehalogenase of the alpha/beta hydrolase superfamily (BbdC). BbdC is the first enzyme in that superfamily associated with dehalogenation of chlorinated aromatics and appears to represent a new subtype within the alpha/beta hydrolase dehalogenases. The activity of BbdC yields a unique trihydroxylated aromatic intermediate for ring cleavage that is performed by an extradiol dioxygenase (BbdF) producing 2,4,6-trioxoheptanedioic acid, which is likely converted to Krebs cycle intermediates by BbdG.

About 2,6-Dichlorobenzoic acid, If you have any questions, you can contact Raes, B; Horemans, B; Rentsch, D; T’Syen, J; Ghequire, MGK; De Mot, R; Wattiez, R; Kohler, HPE; Springael, D or concate me.. Name: 2,6-Dichlorobenzoic acid

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

An article Characterization of Dissolved Organic Matter Removal during Biological Treatment of Commingled Chemical Industrial Wastewater: Relationship with Fluorescent Dissolved Organic Matter Transformation WOS:000492020300030 published article about SOLUBLE MICROBIAL PRODUCTS; POLYCYCLIC AROMATIC-HYDROCARBONS; MOLECULAR-WEIGHT; EXCITATION; SMP; IDENTIFICATION; SPECTROSCOPY; FRACTIONS; SPECTRA; FENTON in [Wang, Dong; Sun, Li-ping; Qiu, Chunsheng] Tianjin Chengjian Univ, Sch Environm & Municipal Engn, Tianjin, Peoples R China; [Wang, Dong; Sun, Li-ping; Qiu, Chunsheng] Tianjin Key Lab Aquat Sci & Technol, Tianjin, Peoples R China; [Wang, Can; Ji, Min] Tianjin Univ, Sch Environm Sci & Engn, Tianjin, Peoples R China; [Lo, Shang-lien] Taiwan Natl Univ, Grad Inst Environm Engn, Taipei, Taiwan in 2020, Cited 28. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0. Name: 2,4-Dichlorobenzoic acid

In this study, the transformation characteristics of fluorescent dissolved organic matter (FDOM) were investigated to characterize the removal of dissolved organic matter (DOM) during biological treatment of commingled chemical industrial wastewater. The results of fluorescence excitation and emission spectroscopy and parallel factor analysis revealed three components (C1, C2, and C3) of FDOM, which were related not only to surface and sewage sources but also chemical industrial wastewater sources. Resin fractionation results showed that the removal of DOM was affected not only by substrate biodegradability but also by DOM generation, such as intermediates, end products, and soluble microbial products, during biological treatment. However, the same variation tendency between DOM and FDOM, based on molecular weight (MW) distribution, was observed during MW fractionation. The changes in DOM in MW>10 kDa fraction apparently corresponded with C2 variation; the tendency of DOM removal in MW of 0.5-10 kDa fraction was possibly related to the evolutions of all three components; and lastly, the removal of DOM in MW<0.5 kDa fraction was found in accordance with C1 and C3 transformations. The removal and transformation of DOM and FDOM were investigated using gas chromatography-mass spectrometer and Fourier transform infrared spectroscopy. Name: 2,4-Dichlorobenzoic acid. About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Wang, D; Wang, C; Ji, M; Sun, LP; Qiu, CS; Lo, SL or concate me.

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

In 2019 BIOORG MED CHEM LETT published article about ACETYLCHOLINE-RECEPTOR AGONIST; PHARMACOLOGICAL CHARACTERIZATION; IDENTIFICATION; APOPTOSIS; SUBUNIT; RELEASE in [Li, Xin; Xie, Wenjun; Huang, Zongze; Sun, Qi] Peking Univ, Sch Pharmaceut Sci, State Key Lab Nat & Biomimet Drugs, Beijing 100191, Peoples R China; [Xie, Wenjun; Wang, Xintong; Bian, Xiling; Wang, KeWei] Peking Univ, Sch Pharmaceut Sci, Dept Mol & Cellular Pharmacol, Beijing 100191, Peoples R China; [Wang, KeWei] Qingdao Univ, Sch Pharm, Dept Pharmacol, Qingdao 266021, Shandong, Peoples R China in 2019, Cited 38. The Name is 2-Chloro-6-methylaniline. Through research, I have a further understanding and discovery of 87-63-8. Computed Properties of C7H8ClN

Structural modifications of nicotinamide, a form of vitamin B3, gave rise to a series of compounds (8aa-8ce) that exhibit activities as type I positive allosteric modulators (PAMs) of human alpha 7 nAChR expressed in Xenopus oocytes in two-electrode voltage clamp assay. The compound 8ai was a potent and efficacious PAM with an EC50 = 3.34 +/- 1.13 mu M and the maximum activation effect of alpha 7 current over 1474 +/- 246% in the presence of acetylcholine (100 mu M). It is highly specific to alpha 7 nAChR over other subtypes of nAChR and 5-HT3A receptors. The structure-activity relationship analysis identified a key skeleton of nicotinamide nucleus critical for biological activity. Taken together, the 8ai as a type I PAM of alpha 7 nAChR may be beneficial for improvement of cognitive deficit.

Computed Properties of C7H8ClN. About 2-Chloro-6-methylaniline, If you have any questions, you can contact Li, X; Xie, WJ; Wang, XT; Huang, ZZ; Bian, XL; Wang, KW; Sun, Q or concate me.

Reference:
Patent; ASTRAZENECA AB; NPS PHARMACEUTICALS, INC.; WO2006/20879; (2006); A1;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

In 2020 BIOORG MED CHEM LETT published article about MULTIPLE-SCLEROSIS; HEPATITIS; DISEASES; GAMMA; BETA in [Chu, Yeonjeong; Lee, Sanghee] Korea Inst Sci & Technol, Brain Sci Inst, Seoul, South Korea; [Chu, Yeonjeong; Gajulapalli, V. Pratap Reddy; Kim, Eunha] Ajou Univ, Dept Mol Sci & Technol, Suwon, South Korea; [Reddy, B. Raja Sekhara; Babu, K. Sudhakar] Sri Krishnadevaraya Univ, Dept Chem, Anantapur, Andhra Pradesh, India; [Lee, Sanghee] Hanyang Univ, Dept HY KIST Bioconvergence, Seoul, South Korea in 2020, Cited 25. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0. Computed Properties of C7H4Cl2O2

Type I Interferon (IFN) signaling plays an important role in the immune defense system against virus infection and in the innate immune response, thus IFNs are widely used as anti-viral agents and treatment for immune disorder or cancer. However, there is a growing demand for novel small-molecule IFN inducer due to tolerance, toxicity, or short duration of action following direct administration of IFNs. In this study, we assessed arylpiperazine (ARP) as a new core skeleton of IFN inducer. To investigate structure-activity relationship, we designed and synthesized a series of ARP analogues and evaluated the ability to stimulate IFN response in THP-1 human monocyte cells. Compound 5i was identified as a potent type I IFN inducer as it significantly increased cytokine secretion and increased expression of various IFN-stimulating genes which are representative biomarkers of type I IFN pathway. Our results suggested a beneficial therapeutic potential of 5i as an anti-viral agent.

Computed Properties of C7H4Cl2O2. About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Chu, Y; Reddy, BRS; Gajulapalli, VPR; Babu, KS; Kim, E; Lee, S or concate me.

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

Category: chlorides-buliding-blocks. I found the field of Chemistry very interesting. Saw the article Seeking potent anti-tubercular agents: design and synthesis of substituted-N-(6-(4-(pyrazine-2-carbonyl)piperazine/homopiperazine-1-yl)pyridin-3-yl)benzamide derivatives as anti-tubercular agents published in 2020, Reprint Addresses Sekhar, KVGC (corresponding author), Birla Inst Technol & Sci, Dept Chem, Hyderabad Campus, Hyderabad 500078, Telangana, India.. The CAS is 50-84-0. Through research, I have a further understanding and discovery of 2,4-Dichlorobenzoic acid.

Pyrazinamide is an important first-line drug used in shortening TB therapy. In our current work, a series of novel substituted-N-(6-(4-(pyrazine-2-carbonyl)piperazine/homopiperazine-1-yl)pyridin-3-yl)benzamide derivatives were designed, synthesized, and evaluated for their anti-tubercular activity against Mycobacterium tuberculosis H37Ra. Among the tested compounds, five compounds (6a, 6e, 6h, 6j and 6k) from Series-I and one compound (7e) from Series-II exhibited significant activity against Mycobacterium tuberculosis H37Ra with 50% inhibitory concentrations (IC50) ranging from 1.35 to 2.18 mu M. To evaluate the efficacy of these compounds, we examined their IC90 values. Five of the most active compounds were found to be more active with IC(90)s ranging from 3.73 to 4.00 mu M and one compound (6e) showed an IC90 of 40.32 mu M. Moreover, single crystals were developed for 6d, 6f and 6n. In addition, most active compounds were evaluated for their cytotoxicity on HEK-293 (human embryonic kidney) cells. Our results indicate that the compounds are nontoxic to human cells. The molecular interactions of the derivatised conjugates in docking studies reveal their suitability for further development.

Category: chlorides-buliding-blocks. About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Srinivasarao, S; Nandikolla, A; Suresh, A; Van Calster, K; De Voogt, L; Cappoen, D; Ghosh, B; Aggarwal, H; Murugesan, S; Sekhar, KVGC or concate me.

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

Authors Lv, LY; Lu, JC; Zhang, HY; Wang, XD; Su, GY; Piao, HR; Zhao, YQ in ELSEVIER published article about PANAX-GINSENG; IN-VITRO; ANTITUMOR EVALUATION; ANTICANCER ACTIVITY; PROSTATE-CANCER; GINSENOSIDES; DERIVATIVES; PROLIFERATION; SEMISYNTHESIS; APOPTOSIS in [Lv, Liyan; Piao, Huri] Yanbian Univ, Key Lab Nat Resources Changbai Mt & Funct Mol, Minist Educ, Coll Pharm, Yanji 133002, Peoples R China; [Lv, Liyan; Lu, Jincai] Shenyang Pharmaceut Univ, Dept Med Plant, Shenyang 110016, Liaoning, Peoples R China; [Zhang, Hongyu; Wang, Xude; Su, Guangyue; Zhao, Yuqing] Shenyang Pharmaceut Univ, Sch Funct Food & Wine, Shenyang, Liaoning, Peoples R China; [Zhao, Yuqing] Shenyang Pharmaceut Univ, Key Lab Struct Based Drug Design & Discovery, Minist Educ, Shenyang 110016, Liaoning, Peoples R China in 2019, Cited 36. COA of Formula: C7H4Cl2O2. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0

20(R)-25-hydroxyprotopanaxadiol (25-OH-PPD) is a natural compound showing a variety of anti-tumor effects. In an attempt to search for a new anti-cancer compound with higher antitumor activities, we designed and synthesized a series of 25-OH-PPD derivatives. Cytotoxicity assay of these derivatives towards MCF-7, A549, U87, HO-8901, Hela cancer cell lines and normal IOSE144 cell lines were tested by MTF assay. Results showed that compared with compound 25-OH-PPD, Compounds 4, 5, 6, 10, 11 showed strong anticancer activity, and all compounds showed low toxicity or no toxicity for normal cells. In particular, compound 6 exhibited the best anti-tumor activity in all cancer cell lines (MCF-7, A549, U87, HO-8901, and Hela) with IC50 values of 5.04 mu M, 1.36 mu M, 3.24 mu M, 3.47 mu M, 4.57 mu M, respectively. Among the five cell lines, all the compounds showed strong inhibition on A549 cells. Further studies showed that Compound 6 significantly inhibited the proliferation of A549 cells by inducing apoptosis. Our results indicate that Compound 6 is a potential anticancer inhibitor and provides a theoretical basis for further research.

COA of Formula: C7H4Cl2O2. About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Lv, LY; Lu, JC; Zhang, HY; Wang, XD; Su, GY; Piao, HR; Zhao, YQ or concate me.

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

Computed Properties of C7H4Cl2O2. Liu, Y; Zhang, S; Li, CY; Shi, XH; Zhao, SN; Sun, B; Zhu, YH in [Liu, Yu; Zhang, Sheng; Li, Changyou; Shi, Xiaohong; Zhao, Shengnan; Sun, Biao; Zhu, Yonghua] Inner Mongolia Agr Univ, Water Conservancy & Civil Engn Coll, Hohhot 010018, Peoples R China published A modified QWASI model for fate and transport modeling of Zn and Pb in a shallow lake during the ice-free period in 2019.0, Cited 35.0. The Name is 2,6-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-30-6.

Heavy metal pollution in lakes is becoming increasingly of interest to researchers. Because heavy metals have high mobility and do not degrade, they migrate easily between different environmental mediums through processes such as suspended solids deposition, sediment resuspension, and diffusion, among others. These processes are particularly pronounced in shallow lakes since the hydrodynamism is higher in bodies of water with minimal depth. Lake Ulansuhai a typical shallow lake in the Hetao irrigation district in Inner Mongolia-also experiences intense sandstorm activity, which compounds the suspended solids exchange intensity between water and sediment, strengthening the migration of heavy metals in the lake system. This study examines the fate and transport of two heavy metals-Zn and Pb-within this lake, using a field experiment to determine the flux of sediment re-suspension and deposition and a laboratory experiment to modify the QWASI model for shallow bodies of water. The aguivalence and mass balance approaches were used to develop this modified QWASI model. The margins of error between the modeled and the measured average concentrations of Zn and Pb in water were 5.0%-30.6% and 5.8%-29.5%, respectively, and in sediment were 0.3%-4.9% and 0.9-5.5%, respectively. These results suggest that the modified QWASI model developed here could indeed be used to more accurately represent the fate and transport of Zn and Pb during the icefree period of a shallow lake. (C) 2013 Elsevier B.V. All rights reserved.

Computed Properties of C7H4Cl2O2. About 2,6-Dichlorobenzoic acid, If you have any questions, you can contact Liu, Y; Zhang, S; Li, CY; Shi, XH; Zhao, SN; Sun, B; Zhu, YH or concate me.

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

An article Novel mixture descriptors for the development of quantitative structure-property relationship models for the boiling points of binary azeotropic mixtures WOS:000506712600055 published article about GENETIC ALGORITHM; DISTILLATION; PREDICTION; QSAR; EQUATION; TREE in [Faramarzi, Zohreh; Zare-Shahabadi, Vahid; Jahromi, Hossein Jalali] Islamic Azad Univ, Dept Chem, Mahshahr Branch, Mahshahr, Iran; [Abbasitabar, Fatemeh] Islamic Azad Univ, Dept Chem, Marvdasht Branch, Marvdasht, Iran in 2019.0, Cited 38.0. Name: 1-Chloro-2-methylbenzene. The Name is 1-Chloro-2-methylbenzene. Through research, I have a further understanding and discovery of 95-49-8

Binary azeotropes, which contain two chemical constituents, are very common in industry. Understanding azeotropic properties is crucial for effectively separating binary azeotropes. Experimental and theoretical approaches such as ab initio have been used to estimate mixture properties but they are costly and time-consuming. The quantitative structure-property relationship (QSPR) model is a viable alternative approach. The most challenging problem in the QSPR study of mixtures is the computation of numerical descriptors to characterize a mixture. In this study, a series of twenty-two formulas were proposed to derive mixture descriptors from the molecular descriptors of the individual pure compounds. The derived mixture descriptors were employed to establish QSPR models to predict the boiling point of binary azeotropic mixtures. The QSPR model developed was found to be the best with R-train(ing)2 and R-test(2) of 0.92 and 0.90 on the basis of a novel proposed formula, in which some coefficients related to the potential energy contribution were used. Mean absolute errors (MAEs) associated with training and test sets were computed as 9.90 and 10.61, respectively. Twelve out of the twenty-two mixture descriptors resulted in the QSPR models with reasonable statistical qualities and, therefore, were taken into account in the production of an ensemble model via a simple averaging strategy. This caused to improve statistical quality of the final QSPR model. (C) 2019 Published by Elsevier B.V.

About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Faramarzi, Z; Abbasitabar, F; Zare-Shahabadi, V; Jahromi, HJ or concate me.. Name: 1-Chloro-2-methylbenzene

Reference:
Patent; Nanjing Zhongteng Chemical Co., Ltd.; Zhong Hua; Lu Minshan; Chen Xiuzhen; Liu Qiaobao; Yin Hengbo; Wang Aili; (8 pag.)CN104876790; (2017); B;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

An article Ligand Control of Palladium-Catalyzed Site-Selective alpha- and gamma-Arylation of alpha,beta-Unsaturated Ketones with (Hetero)aryl Halides WOS:000586299200001 published article about REDUCTIVE ELIMINATION; CARBONYL-COMPOUNDS; ARYL HALIDES; DESIGN; POSITION; ACETONE; BONDS in [Yuen, On Ying; So, Chau Ming] Hong Kong Polytech Univ, Dept Appl Biol & Chem Technol, Hung Hom, Hong Kong, Peoples R China; [Yuen, On Ying; So, Chau Ming] Hong Kong Polytech Univ, State Key Lab Chem Biol & Drug Discovery, Hung Hom, Kowloon, Hong Kong, Peoples R China; [So, Chau Ming] Hong Kong Polytech Univ, Shenzhen Res Inst, Shenzhen, Peoples R China in 2020.0, Cited 45.0. The Name is 1-Chloro-2-methylbenzene. Through research, I have a further understanding and discovery of 95-49-8. Computed Properties of C7H7Cl

This study describes the first palladium-catalyzed, site-selective alpha- and gamma-arylation of alpha,beta-unsaturated ketones with (hetero)aryl halides. A wide range of hetero(aryl)halides coupled with alpha,beta-unsaturated ketones, and transformation into the arylated products proceeded with excellent to good yields. The site selectivity of the reaction is switchable by simply changing the phosphine ligand to access either alpha-arylated or gamma-arylated products in good to excellent yields by using a low catalyst loading, and the method demonstrates good functional-group compatibility.

About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Yuen, OY; So, CM or concate me.. Computed Properties of C7H7Cl

Reference:
Patent; Nanjing Zhongteng Chemical Co., Ltd.; Zhong Hua; Lu Minshan; Chen Xiuzhen; Liu Qiaobao; Yin Hengbo; Wang Aili; (8 pag.)CN104876790; (2017); B;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics