Tag: 200-300

Formula: C11H13ClO2On September 15, 2006 ,《Synthesis, biochemical evaluation and rationalization of the inhibitory activity of a range of 4-substituted phenyl alkyl imidazole-based inhibitors of the enzyme complex 17α-hydroxylase/17,20-lyase (P45017α)》 was published in Bioorganic & Medicinal Chemistry Letters. The article was written by Patel, Chirag H.; Dhanani, Sachin; Owen, Caroline P.; Ahmed, Sabbir. The article contains the following contents:

The preliminary results of the synthesis, biochem. evaluation and rationalization of the inhibitory activity of 1-(arylalkyl)imidazoles 4-RC6H4(CH2)nIm (R = H, F, Cl, Br; n = 1 – 3; Im = 1-imidazolyl) (I) as inhibitors of the two components of the enzyme complex P 45017α, i.e., 17α-hydroxylase (17α-OHase) and 17,20-lyase (lyase), are reported. I (R = Br; n = 3) (IC50 = 2.95 μM against 17α-OHase and IC50 = 0.33 μM against lyase) is the most potent compound within the current study and is more potent than ketoconazole (IC50 = 3.76 μM against 17α-OHase and IC50 = 1.66 μM against lyase). Modeling of these compounds suggests that the length of the alkyl chain enhances the interaction between the inhibitor and the area of the active site corresponding to the C(3) area of the steroid backbone, thereby increasing potency. In addition to this study using Ethyl 3-(4-chlorophenyl)propanoate, there are many other studies that have used Ethyl 3-(4-chlorophenyl)propanoate(cas: 7116-36-1Formula: C11H13ClO2) was used in this study.

Ethyl 3-(4-chlorophenyl)propanoate(cas: 7116-36-1) belongs to organochlorine compounds. The wide structural variety and divergent chemical properties of organochlorides lead to a broad range of names, applications, and properties.Formula: C11H13ClO2 Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.

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

Quality Control of 3,5-Dichloro-4-methoxybenzoic acidOn September 25, 2006 ,《Proton mobility in 2-substituted 1,3-dichlorobenzenes: “”ortho”” or “”meta”” metalation?》 was published in European Journal of Organic Chemistry. The article was written by Schlosser, Manfred; Heiss, Christophe; Marzi, Elena; Scopelliti, Rosario. The article contains the following contents:

Nine 1,3-dichlorobenzene congeners were selected as model compounds to assess the relative rates of proton abstraction from 4- and 5-positions (“”ortho”” vs. “”meta”” metalation). Using lithium 2,2,6,6-tetramethylpiperidide as the basic reagent, the chlorine-adjacent 4-position underwent metalation exclusively. In contrast, attack at the chlorine-remote 5-position became significant even in the case of moderately sized 2-substituents (such as dimethylamino or ethyl) when sec-butyllithium was employed. The “”ortho/para”” (4-/5-) ratios ranged from 80:20 to 65:35. The more pronounced “”meta-orienting”” effect of silicon as opposed to carbon substituents can be attributed to dissimilarities in the π polarization of the aromatic ring.3,5-Dichloro-4-methoxybenzoic acid(cas: 37908-97-7Quality Control of 3,5-Dichloro-4-methoxybenzoic acid) was used in this study.

3,5-Dichloro-4-methoxybenzoic acid(cas: 37908-97-7) belongs to organochlorine compounds. Many organochlorine compounds have been isolated from natural sources ranging from bacteria to humans. Quality Control of 3,5-Dichloro-4-methoxybenzoic acid Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids.

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

The author of 《The electrostatic influence of substituents on reaction rates. II》 were Westheimer, F. H.. And the article was published in Journal of the American Chemical Society in 1940. HPLC of Formula: 7116-36-1 The author mentioned the following in the article:

cf. C. A. 34, 2236.6. The electrostatic equations derived by Kirkwood and Westheimer (C. A. 32, 8244.8) were applied successfully to calculation of the effect of para substituents on the rate of saponification of Et phenylacetate (I), hydrocinnamate (II), benzoate (III) and cinnamate (IV), to the rate of alk. hydrolysis of benzamides (V) and the rate of reaction of benzyl chlorides (VI) with NaI. Data are given for values of the sp. rate constants, k, for the saponification of p-nitro-I, p-chloro-I, p-methyl-I, p-methoxy-I, p-amino-I, p-chloro-II, p-methoxy-II, p-nitro-VI, p-fluoro-VI, p-chloro-VI, p-bromo-VI, p-iodo-VI, p-nitro-III, p-fluoro-III, p-chloro-III, p-bromo-III, p-iodo-III, p-methyl-III, p-methoxy-III, p-amino-III, p-nitro-IV, p-fluoro-IV, p-chloro-IV, p-bromo-IV, p-iodo-IV, p-methyl-IV; for the alk. hydrolysis of p-nitro-V, p-chloro-V, p-bromo-V, p-iodo-V, p-methyl-V, p-methoxy-V, p-amino-V, and for the reaction between NMe3 and Me p-methylbenzoate and Me p-nitrobenzoate, resp. These are compared with calculated values of k. An approx. equation is derived which applies to dipole-dipole interaction and is shown satisfactorily to account for the effect of substituents on the rate of alkylation of NMe3 by substituted Me benzoates. After reading the article, we found that the author used Ethyl 3-(4-chlorophenyl)propanoate(cas: 7116-36-1HPLC of Formula: 7116-36-1)

Ethyl 3-(4-chlorophenyl)propanoate(cas: 7116-36-1) belongs to organochlorine compounds. Many organochlorine compounds have been isolated from natural sources ranging from bacteria to humans. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. HPLC of Formula: 7116-36-1

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

Pyun, Sang Yong; Cho, Bong Rae published an article in Bulletin of the Korean Chemical Society. The title of the article was 《Reactions of 4-nitrophenyl 2-thiophenecarboxylates with R2NH/R2NH2+ in 20 mol % DMSO (aq). Effects of 5-thienyl substituent and base strength》.Recommanded Product: 1450877-56-1 The author mentioned the following in the article:

Reactions of 4-nitrophenyl 2-thiophenecarboxylate (1a-e) with R2NH/R2NH2+ in 20 mol % DMSO (aq) have been studied kinetically. The 2nd order kinetics, βnuc = 0.88-0.98, and linear Hammett and Yukawa-Tsuno plots observed for these reactions indicate an addition-elimination mechanism in which the 2nd step is rate limiting. The βnuc value increased with a stronger electron-withdrawing 5-thienyl substituent, the Hammett plots are linear except for X = MeO, and Yukawa-Tsuno plots are linear with ρ = 0.79-1.32 and r = 0.28-0.93, resp. The ρ value increased and r value decreased with a stronger nucleophile, indicating an increase in the electron d. at the C = O bond and a decrease in the resonance demand. These results have been interpreted with enhanced N-C bond formation in the transition state with the reactivity increase. The results came from multiple reactions, including the reaction of 4-Nitrophenyl 5-chlorothiophene-2-carboxylate(cas: 1450877-56-1Recommanded Product: 1450877-56-1)

4-Nitrophenyl 5-chlorothiophene-2-carboxylate(cas: 1450877-56-1) belongs to organochlorine compounds. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Recommanded Product: 1450877-56-1

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

Lemoine, Remy C.; Petersen, Ann C.; Setti, Lina; Wanner, Jutta; Jekle, Andreas; Heilek, Gabrielle; deRosier, Andre; Ji, Changhua; Berry, Pamela; Rotstein, David published an article on January 15 ,2010. The article was titled 《Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles》, and you may find the article in Bioorganic & Medicinal Chemistry Letters.SDS of cas: 54453-94-0 The information in the text is summarized as follows:

Replacement of a secondary amide with an N-acyl or N-sulfonyl gem-disubstituted azacyle in a series of CCR5 antagonists led to the identification of compounds with excellent in vitro HIV antiviral activity and increased intrinsic membrane permeability. The experimental process involved the reaction of Ethyl 6-chloro-2,4-dimethylnicotinate(cas: 54453-94-0SDS of cas: 54453-94-0)

Ethyl 6-chloro-2,4-dimethylnicotinate(cas: 54453-94-0) belongs to pyridine. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. As ligands, solvents, and catalysts they facilitate reactions; thus descriptions of these new ligands and their applications abound each year.SDS of cas: 54453-94-0

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

Recommanded Product: 5-Chloro-2-(trifluoromethyl)benzoic acidOn September 1, 2012 ,《N-1-Alkyl-2-oxo-2-aryl amides as novel antagonists of the TRPA1 receptor》 was published in Bioorganic & Medicinal Chemistry Letters. The article was written by Vallin, Karl S. A.; Sterky, Karin J.; Nyman, Eva; Bernstroem, Jenny; From, Rebecka; Linde, Christian; Minidis, Alexander B. E.; Nolting, Andreas; Naerhi, Katja; Santangelo, Ellen M.; Sehgelmeble, Fernando W.; Sohn, Daniel; Strindlund, Jennie; Weigelt, Dirk. The article contains the following contents:

A series of potent antagonists of the ion channel transient receptor potential A1 (TRPA1) was developed by modifying lead structure 16 that was discovered by high-throughput screening. Based on lead compound 16, a SAR was established, showing a narrow region at the nitro-aromatic R1 moiety and at the warhead, while the R2 side had a much wider scope including ureas and carbamates. Compound 16 inhibits Ca2+-activated TRPA1 currents reversibly in whole cell patch clamp experiments, indicating that under in vivo conditions, it does not react covalently, despite its potentially electrophilic ketone. The experimental process involved the reaction of 5-Chloro-2-(trifluoromethyl)benzoic acid(cas: 654-98-8Recommanded Product: 5-Chloro-2-(trifluoromethyl)benzoic acid)

5-Chloro-2-(trifluoromethyl)benzoic acid(cas: 654-98-8) belongs to organochlorine compounds. The wide structural variety and divergent chemical properties of organochlorides lead to a broad range of names, applications, and properties. Organochlorine compounds have wide use in many applications, though some are of profound environmental concern, with TCDD being one of the most notorious.Recommanded Product: 5-Chloro-2-(trifluoromethyl)benzoic acid

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

Computed Properties of C8H6Cl2O3On October 31, 2008 ,《Bioactive metabolites from Penicillium sp., an endophytic fungus residing in Hopea hainanensis》 appeared in World Journal of Microbiology & Biotechnology. The author of the article were Wang, F. W.; Hou, Z. M.; Wang, C. R.; Li, P.; Shi, D. H.. The article conveys some information:

The metabolites of endophytic fungus Penicillium sp. from the leaf of Hopea hainanensis were reported for the first time. By bioassay-guided fractionation, the EtOAc extract of a solid-matrix steady culture of this fungus afforded six compounds, which were identified through a combination of spectral and chem. methods (IR, MS, 1H- and 13C-NMR) to be monomethylsulochrin (1), rhizoctonic acid (2), asperfumoid (3), physcion (4), 7,8-dimethyl-iso-alloxazine (5) and 3,5-dichloro-p-anisic acid (6). Compounds 2, 3 and 6 were obtained from Penicillium sp. for the first time. All of the six isolates were subjected to in vitro bioactive assays including antifungal action against three human pathogenic fungi Candida albicans, Trichophyton rubrum and Aspergillus niger and cytotoxic activity against the human nasopharyngeal epidermoid tumor KB cell line and human liver cancer HepG2 cell line. As a result, compounds 2-4 and 6 inhibited the growth of C. albicans with MICs of 40.0, 20.0, 50.0 and 15.0 μg/mL, resp. and the compound 6 showed growth inhibition against A. niger with MICs of 40.0 μg/mL. In addition, compounds 1-3 and 6 exhibited cytotoxic activity against KB cell line with IC50 value of 30.0, 20.0, 20.0, 5.0 μg/mL, resp. and against HepG2 cell line with IC50 value of 30.0, 25.0, 15.0, 10.0 μg/mL, resp. The results came from multiple reactions, including the reaction of 3,5-Dichloro-4-methoxybenzoic acid(cas: 37908-97-7Computed Properties of C8H6Cl2O3)

3,5-Dichloro-4-methoxybenzoic acid(cas: 37908-97-7) belongs to organochlorine compounds. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Computed Properties of C8H6Cl2O3

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

Recommanded Product: 37908-97-7On October 14, 2020 ,《Marine Natural Product for Pesticide Candidate: Pulmonarin Alkaloids as Novel Antiviral and Anti-Phytopathogenic-Fungus Agents》 was published in Journal of Agricultural and Food Chemistry. The article was written by Zhang, Mingjun; Ding, Xin; Kang, Jin; Gao, Yongyue; Wang, Ziwen; Wang, Qingmin. The article contains the following contents:

Plant diseases are seriously endangering agricultural production The emergence of drug resistance has brought great challenges to the prevention and control of plant diseases. There is an urgent need for the emergence of new drug candidates. In this work, we achieved the efficient synthesis of pulmonarins A and B in 64% and 59% overall yield, resp. Pulmonarins A and B were found to have good antiviral activities against tobacco mosaic virus (TMV) for the first time. A series of pulmonarin derivatives were designed, synthesized, and evaluated for their antiviral and fungicidal activities systematically. Most compounds displayed higher anti-TMV activities than com. ribavirin. Compounds Pulmonarin B, -Benzyl-2-((3,5-dibromo-4-methoxybenzoyl)oxy)-N,N-dimethylethan-1-aminium Bromide (I), and 2-((4-(Allyloxy)-3,5-dibromobenzoyl)oxy)-N,N,N-trimethylethan-1-aminium Iodide with better inactivation effects than ningnanmycin emerged as new antiviral candidates. We selected I for further antiviral mechanism research, which revealed that it could inhibit virus assembly by interacting with TMV coat protein (CP). The mol. docking results further confirmed that these compounds could interact with CP through hydrogen bonding. These compounds also displayed broad spectrum fungicidal activities. Especially compound 2-(2-(3,5-Dibromo-4-methoxyphenyl)acetoxy)-N,N,N-trimethylethan-1-aminium Iodide with prominent antifungal activity emerged as a new fungicidal candidate for further research. The current work provides a reference for understanding the application of pulmonarin alkaloids in plant protection. After reading the article, we found that the author used 3,5-Dichloro-4-methoxybenzoic acid(cas: 37908-97-7Recommanded Product: 37908-97-7)

3,5-Dichloro-4-methoxybenzoic acid(cas: 37908-97-7) belongs to organochlorine compounds. The wide structural variety and divergent chemical properties of organochlorides lead to a broad range of names, applications, and properties.Recommanded Product: 37908-97-7 Organochlorine compounds have wide use in many applications, though some are of profound environmental concern, with TCDD being one of the most notorious.

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

《Synthesis of 1,2,3-triazole benzophenone derivatives and evaluation of in vitro sun protection, antioxidant properties, and antiproliferative activity on HT-144 melanoma cells》 was written by Dias, Maria C. F.; de Sousa, Bianca L.; Ionta, Marisa; Teixeira, Robson R.; Goulart, Thiago Q.; Ferreira-Silva, Guilherme A.; Pilau, Eduardo J.; dos Santos, Marcelo H.. Product Details of 622-95-7This research focused ontriazole benzophenone derivative antioxidant antitumor photoprotective human. The article conveys some information:

Two series of 1,2,3-triazole-benzophenone derivatives I [R = R1 = Ph, 3-MeC6H4, 4-ClC6H4, etc.] and II [R2 = Ph, 2-pyridyl, 4-BrC6H4, etc.] were synthesized and their antioxidant, anticancer and photoprotective effects evaluated. For the compounds synthesis, 4,4′-dihydroxybenzophenone and 2,4-dihydroxybenzophenone were propargylated and afforded alkynes, bis(4-(prop-2-yn 1-yloxy))benzophenone and (2-hydroxy-4-(prop-2-yn-1-yloxy))benzophenone, resp. The copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC) reaction between the alkynes and several benzyl azides gave the compounds I and II with yields ranging from 35 to 95%. Compounds I and II at the concentration of 0.2μg mL-1 (a no-cytotoxic concentration) exhibited a solar protection factor (SPF) comparable to pos. control benzophonen-3 (BP-3). Concerning their antioxidant and cytotoxic effects, the derivatives from 2,4-dihydroxybenzophenone showed high in vitro antioxidant effects as well as cytotoxicity against A549 (lung carcinoma), MCF-7 (breast carcinoma) and HT-144 (metastatic melanoma) cell lines, without significant cytotoxicity to a non-cancerous cell line. Derivatives II [R2 = Ph, 4-MeC6H4, 2,4-F2C6H3] induced cell death and cell cycle arrest at G1/S in HT-144 melanoma cells. In addition to this study using 1-(Bromomethyl)-4-chlorobenzene, there are many other studies that have used 1-(Bromomethyl)-4-chlorobenzene(cas: 622-95-7Product Details of 622-95-7) was used in this study.

1-(Bromomethyl)-4-chlorobenzene(cas: 622-95-7) undergoes carbonylation in the presence of dimer of chloro(1,5-cyclooctadiene)rhodium(I) to yield the corresponding phenylacetic acid.Product Details of 622-95-7 It can be synthesized by reacting 4-chlorobenzyl alcohol with bromodimethylsulfonium bromide (BDMS) It can also be synthesized by refluxing a mixture of 4-chlorobenzaldehyde, chlorotrimethylsilane, 1,1,3,3-tetramethyldisiloxane and lithium bromide.

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

《Oxidative chlorination of various iodoarenes to (dichloroiodo)arenes with chromium(VI) oxide as the oxidant》 was published in Journal of Chemical Research, Synopses in 1999. These research results belong to Kaimierczak, Pawet; Skulski, Lech; Obeid, Nicolas. Quality Control of 3,5-Dichloro-4-methoxybenzoic acid The article mentions the following:

Chromium(VI) oxide dissolved in a mixture of acetic acid with concentrated hydrochloric acid converts, at or near room temperature, iodoarenes to (dichloroiodo)arenes, in a very simple and efficient procedure. In the experimental materials used by the author, we found 3,5-Dichloro-4-methoxybenzoic acid(cas: 37908-97-7Quality Control of 3,5-Dichloro-4-methoxybenzoic acid)

3,5-Dichloro-4-methoxybenzoic acid(cas: 37908-97-7) belongs to organochlorine compounds. The wide structural variety and divergent chemical properties of organochlorides lead to a broad range of names, applications, and properties. Organochlorine compounds have wide use in many applications, though some are of profound environmental concern, with TCDD being one of the most notorious.Quality Control of 3,5-Dichloro-4-methoxybenzoic acid

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