Tag: 100-200

Jing, Lanlan; Wu, Gaochan; Hao, Xia; Olotu, Fisayo A.; Kang, Dongwei; Chen, Chin Ho; Lee, Kuo-Hsiung; Soliman, Mahmoud E. S.; Liu, Xinyong; Song, Yuning; Zhan, Peng published their research in European Journal of Medicinal Chemistry on December 1 ,2019. The article was titled 《Identification of highly potent and selective Cdc25 protein phosphatases inhibitors from miniaturization click-chemistry-based combinatorial libraries》.Formula: C7H6Cl2 The article contains the following contents:

Cell division cycle 25 (Cdc25) protein phosphatases play key roles in the transition between the cell cycle phases and their association with various cancers has been widely proven, which makes them ideal targets for anti-cancer treatment. Though several Cdc25 inhibitors have been developed, most of them displayed low activity and poor subtype selectivity. Therefore, it is extremely important to discover novel small mol. inhibitors with potent activities and significant selectivity for Cdc25 subtypes, not only served as drugs to treat cancer but also to probe its mechanism in transitions. In this study, miniaturized parallel click chem. synthesis via CuAAC reaction followed by in situ biol. screening were used to discover selective Cdc25 inhibitors. The bioassay results showed that compound M2N12 proved to be the most potent Cdc25 inhibitor, which also act as a highly selective Cdc25C inhibitor and was about 9-fold potent than that of NSC 663284. Moreover, M2N12 showed remarkable anti-growth activity against the KB-VIN cell line, equivalent to that of PXL and NSC 663284. An all-atom mol. dynamics (MD) simulation approach was further employed to probe the significant selectivity of M2N12 for Cdc25C relative to its structural homologs Cdc25A and Cdc25B. Overall, above results make M2N12 a promising lead compound for further investigation and structural modification. After reading the article, we found that the author used 3-Chlorobenzylchloride(cas: 620-20-2Formula: C7H6Cl2)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Formula: C7H6Cl2

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

Akgul, Ozlem; Lucarini, Elena; Mannelli, Lorenzo Di Cesare; Ghelardini, Carla; D′Ambrosio, Katia; Buonanno, Martina; Monti, Simona Maria; De Simone, Giuseppina; Angeli, Andrea; Supuran, Claudiu T.; Carta, Fabrizio published an article on January 5 ,2022. The article was titled 《Sultam based Carbonic Anhydrase VII inhibitors for the management of neuropathic pain》, and you may find the article in European Journal of Medicinal Chemistry.HPLC of Formula: 620-20-2 The information in the text is summarized as follows:

We report a series of compounds 1-17 derived from the antiepileptic drug Sulthiame (SLT) from which both the benzenesulfonamide and the sultam moiety were retained. All compounds were tested in vitro for their inhibition activity against the human (h) Carbonic Anhydrase (CA; EC 4.2.1.1) I, II, VII, IX and XII isoforms. Among the series, derivatives 1 and 11 showed great enhancement of both inhibition potency and selectivity towards the hCA VII isoform, when compared to the reference SLT drug. The binding mode of 11 within the hCA VII active site was deciphered by means of X-ray crystallog. and revealed the sultam moiety being exposed to the rim of the active site. In vivo experiments on a model of neuropathic pain induced by oxaliplatin clearly showed 11 being an effective pain relieving agent and therefore worth of further exploitation towards the validation of the hCA VII as new target for the management of neuropathies. The experimental part of the paper was very detailed, including the reaction process of 3-Chlorobenzylchloride(cas: 620-20-2HPLC of Formula: 620-20-2)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.HPLC of Formula: 620-20-2

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

Akgul, Ozlem; Angeli, Andrea; Selleri, Silvia; Capasso, Clemente; Supuran, Claudiu T.; Carta, Fabrizio published an article in European Journal of Medicinal Chemistry. The title of the article was 《Taurultams incorporating arylsulfonamide: First in vitro inhibition studies of α-, β- and γ-class Carbonic Anhydrases from Vibrio cholerae and Burkholderia pseudomallei》.COA of Formula: C7H6Cl2 The author mentioned the following in the article:

A new series of taurultambenzenesulfonamides I and II were prepared and considered for their inhibitory activity in vitro against the Carbonic Anhydrases from Vibrio cholerae (VchCA-α, VchCA-β and VchCA-γ) and Burkholderia pseudomallei (BpsCA-β and BpsCA-γ). Among the compounds tested, derivatives I (R = 4-CF3, 4-NO2, F5) and II (R = H, 4-F, 2,6-F2) resulted in highly effective VchCAα inhibitors (KI values spanning within the 6.1-9.6 nM range) and endowed with excellent Selectivity Indexes (SIs; KI VchCA-α/KI hCA II) all comprised between 0.04 and 0.09. Potent in vitro inhibitors for the BpsCA-γ were also identified (KIs of 18.9-19.5 nM). The results here reported may represent the blueprint for the future development of a new generation of CA-based antibiotics integrated with free of resistance mechanisms of action adopted from known drugs. In the experiment, the researchers used many compounds, for example, 3-Chlorobenzylchloride(cas: 620-20-2COA of Formula: C7H6Cl2)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.COA of Formula: C7H6Cl2

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

Quality Control of 3-ChlorobenzylchlorideOn November 1, 2020 ,《Structure activity relationship exploration of 5-hydroxy-2-(3-phenylpropyl)chromones as a unique 5-HT2B receptor antagonist scaffold》 appeared in Bioorganic & Medicinal Chemistry Letters. The author of the article were Kim, Minsoo; Truss, Myles; Pagare, Piyusha P.; Essandoh, Martha A.; Zhang, Yan; Williams, Dwight A.. The article conveys some information:

Antagonists for the serotonin receptor 2B (5-HT2B) have clin. applications towards migraine, anxiety, irritable bowl syndrome, and MDMA abuse; however, few selective 5-HT2B antagonists have been identified. Previous studies from these labs identified a natural product, 5-hydroxy-2-(2-phenylethyl)chromone (5-HPEC, 2) as the first non-nitrogenous ligand for the 5-HT2B receptor. Studies on 5-HPEC optimization led to the identification of 5-hydroxy-2-(3-phenylpropyl)chromone (5-HPPC, 3), which showed a tenfold improvement in binding affinity over 2 at 5-HT2B. This study aimed to further improve receptor pharmacol. of this unique scaffold. Guided by mol. modeling studies modifications at the C-3′ and C-4′ positions of 3 were made to probe their effects on ligand binding affinity and efficacy. Among the derivatives synthesized 5-hydroxy-2-(3-(3-cyanophenyl)propyl)chromone (5-HCPC, 3d) showed the most promise with a multifold improvement in binding affinity (pKi = 7.1 ± 0.07) over 3 with retained antagonism. In the experimental materials used by the author, we found 3-Chlorobenzylchloride(cas: 620-20-2Quality Control of 3-Chlorobenzylchloride)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Quality Control of 3-Chlorobenzylchloride

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

《Discovery of novel tertiary amide derivatives as NEDDylation pathway activators to inhibit the tumor progression in vitro and in vivo》 was written by Fu, Dong-Jun; Song, Jian; Zhu, Ting; Pang, Xiao-Jing; Wang, Sheng-Hui; Zhang, Yan-Bing; Wu, Bo-Wen; Wang, Jun-Wei; Zi, Xiaolin; Zhang, Sai-Yang; Liu, Hong-Min. Related Products of 620-20-2 And the article was included in European Journal of Medicinal Chemistry on April 15 ,2020. The article conveys some information:

NEDDylation pathway regulates multiple physiol. process, unlike inhibitors, NEDDylation activators are rarely studied. Novel amide derivatives were synthesized and evaluated for antiproliferative activity against MGC803, MCF-7 and PC-3 cells. Among them, VII-31 displayed the most potent activity with an IC50 value of 94 nmol/L against MGC803 cells. Cellular mechanisms elucidated that VII-31 inhibited the cell viability, arrested cell cycle at G2/M phase and induced apoptosis via intrinsic and extrinsic pathways against MGC803 cells. In addition, VII-31 activated NAE1-Ubc12-Cullin1 NEDDylation via interacting with NAE1 directly. Furthermore, the activation of NEDDylation resulted in the degradation of inhibitor of apoptosis proteins (IAPs). Importantly, VII-31 inhibited tumor growth in xenograft models in vivo without the apparent toxicity. In summary, it is the first time to reveal that VII-31 deserves consideration for cancer therapy as a NEDDylation activator.3-Chlorobenzylchloride(cas: 620-20-2Related Products of 620-20-2) was used in this study.

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Related Products of 620-20-2

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

《Discovery of a novel selective water-soluble SMAD3 inhibitor as an antitumor agent》 was written by Wu, Nannan; Lian, Guangyu; Sheng, Jingyi; Wu, Dan; Yu, Xiyong; Lan, Huiyao; Hu, Wenhui; Yang, Zhongjin. Name: Methyl 2-chloro-2-oxoacetateThis research focused onwater soluble SIS3 analog preparation SMAD3 inhibitor cancer structure; NK cell; SMAD3 inhibitor; Tumor; Tumor microenvironment. The article conveys some information:

Targeting the SMAD3 protein is an attractive therapeutic strategy for treating cancer, as it avoids the potential toxicities due to targeting the TGF-β signaling pathway upstream. Compound SIS3 was the first selective SMAD3 inhibitor developed that had acceptable activity, but its poor water solubility limited its development. Here, a series of SIS3 analogs was created to investigate the structure-activity relationship for inhibiting the activation of SMAD3. On the basis of this SAR, further optimization generated a water-soluble compound, 16d, which was capable of effectively blocking SMAD3 activation in vitro and had similar NK cell-mediated anticancer effects in vivo to its parent SIS3. This study not only provided a preferable lead compound, 16d, for further drug discovery or a potential tool to study SMAD3 biol., but also proved the effectiveness of our strategy for water-solubility driven optimization. After reading the article, we found that the author used Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3Name: Methyl 2-chloro-2-oxoacetate)

Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) belongs to acyl chlorides. Lacking the ability to form hydrogen bonds, acyl chlorides have lower boiling and melting points than similar carboxylic acids. For example, acetic acid boils at 118 °C, whereas acetyl chloride boils at 51 °C. Like most carbonyl compounds, infrared spectroscopy reveals a band near 1750 cm−1.Name: Methyl 2-chloro-2-oxoacetate

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

《Click synthesis of 1,4-disubstituted-1,2,3-triazoles catalyzed by melamine-supported CuO nanoparticles as an efficient recyclable catalyst in water》 was written by Rajabi, Mahboobeh; Albadi, Jalal; Momeni, Ahmadreza. Category: chlorides-buliding-blocks And the article was included in Research on Chemical Intermediates on August 31 ,2020. The article conveys some information:

Melamine-supported CuO nanoparticles (M-CuO nanocatalyst) are prepared as a new and efficient recyclable nanocatalyst for the regioselective synthesis of 1,2,3-triazoles I (R = Me, Ph, 4-methylphenyl, etc.; R1 = H, OMe) in water. This new nanocatalyst was prepared by co-precipitation method and characterized by FT-IR spectral study, TGA, DSC, XRF, ICP-OES, XRD, SEM, EDS and BET anal. A wide range of 1,4-disubstituted-1,2,3-triazoles I was synthesized from reaction of benzyl halides or alkyl halides RCH2Cl with Ph acetylene and sodium azide in high yields. M-CuO nanocatalyst could be reused more than 6 times without considerable loss of its initial activity. In the experiment, the researchers used many compounds, for example, 3-Chlorobenzylchloride(cas: 620-20-2Category: chlorides-buliding-blocks)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Category: chlorides-buliding-blocks

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

COA of Formula: C4H3ClO2S2In 2022 ,《Carbene-Catalyzed Enantioselective Sulfonylation of Enone Aryl Aldehydes: A New Mode of Breslow Intermediate Oxidation》 was published in Journal of the American Chemical Society. The article was written by Deng, Rui; Wu, Shuquan; Mou, Chengli; Liu, Jianjian; Zheng, Pengcheng; Zhang, Xinglong; Chi, Yonggui Robin. The article contains the following contents:

A carbene-catalyzed sulfonylation reaction between enone aryl aldehydes and sulfonyl chlorides is disclosed. The reaction effectively installs sulfone moieties in a highly enantioselective manner to afford sulfone-containing bicyclic lactones. The sulfonyl chloride behaves both as an oxidant and a nucleophilic substrate (via its reduced form) in this N-heterocyclic carbene (NHC)-catalyzed process. The NHC catalyst provides both activation and stereoselectivity control on a very remote site of enone aryl aldehyde substrates. Water plays an important role in modulating catalyst deactivation and reactivation routes that involve reactions between NHC and sulfonyl chloride. Exptl. studies and DFT calculations suggest that an unprecedented intermediate and a new oxidation mode of the NHC-derived Breslow intermediate are involved in the new asym. sulfonylation reaction. In the experiment, the researchers used Thiophene-2-sulfonyl chloride(cas: 16629-19-9COA of Formula: C4H3ClO2S2)

Thiophene-2-sulfonyl chloride(cas: 16629-19-9) is a member of sulfonyl chlorides. Sulfonyl chlorides are reactive sulfonic acid derivatives similar in properties and reactivity to acid chlorides of carboxylates. The sulfonic acid group, however, is a highly hindered molecule, containing a tetrahedral configuration of substituents. COA of Formula: C4H3ClO2S2

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

Name: Methyl 2-chloro-2-oxoacetateIn 2019 ,《Auto-Tandem Cooperative Catalysis Using Phosphine/Palladium: Reaction of Morita-Baylis-Hillman Carbonates and Allylic Alcohols》 was published in Angewandte Chemie, International Edition. The article was written by Chen, Peng; Chen, Zhi-Chao; Li, Yue; Ouyang, Qin; Du, Wei; Chen, Ying-Chun. The article contains the following contents:

Auto-tandem catalysis (ATC), in which a single catalyst promotes two or more mechanistically different reactions in a cascade pattern, provides a powerful strategy to prepare complex products from simple starting materials. An unprecedented auto-tandem cooperative catalysis (ATCC) for Morita-Baylis-Hillman carbonates from isatins I [X = CH, N; R = H, 5-OCH3, 5,7-(CH3)2, etc.; R1 = CH3, C6H5CH2; R2 = OC(CH3)3, CH3, OCH2CH3] and allylic carbonates R4CH=CHCH(R3)OC(O)OC(CH3)3 [R3 = R4 = H; R3 = CH2=CH, 4-H3CC6H4, pyridin-3-yl, cyclohexyl, etc.; R4 = CH3] using a simple Pd(PPh3)4 precursor has been reported. Dissociated phosphine generates phosphorus ylides and the Pd leads to π-allylpalladium complexes, and they undergo a γ-regioselective allylic-allylic alkylation reaction. Importantly, a cascade intramol. Heck-type coupling proceeds to finally furnish spirooxindoles II incorporating a 4-methylene-2-cyclopentene motif. Exptl. results indicate that both Pd and phosphine play crucial roles in the catalytic Heck reaction. In addition, the asym. versions with either a chiral phosphine e.g., III or chiral auxiliary are explored, and moderate results are obtained. The experimental part of the paper was very detailed, including the reaction process of Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3Name: Methyl 2-chloro-2-oxoacetate)

Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) belongs to acyl chlorides. Lacking the ability to form hydrogen bonds, acyl chlorides have lower boiling and melting points than similar carboxylic acids. For example, acetic acid boils at 118 °C, whereas acetyl chloride boils at 51 °C. Like most carbonyl compounds, infrared spectroscopy reveals a band near 1750 cm−1.Name: Methyl 2-chloro-2-oxoacetate

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

Recommanded Product: 620-20-2On May 13, 2021 ,《Discovery of Orally Bioavailable Purine-Based Inhibitors of the Low-Molecular-Weight Protein Tyrosine Phosphatase》 appeared in Journal of Medicinal Chemistry. The author of the article were Stanford, Stephanie M.; Diaz, Michael A.; Ardecky, Robert J.; Zou, Jiwen; Roosild, Tarmo; Holmes, Zachary J.; Nguyen, Tiffany P.; Hedrick, Michael P.; Rodiles, Socorro; Guan, April; Grotegut, Stefan; Santelli, Eugenio; Chung, Thomas D. Y.; Jackson, Michael R.; Bottini, Nunzio; Pinkerton, Anthony B.. The article conveys some information:

Obesity-associated insulin resistance plays a central role in the pathogenesis of type 2 diabetes. A promising approach to decrease insulin resistance in obesity is to inhibit the protein tyrosine phosphatases that neg. regulate insulin receptor signaling. The low-mol.-weight protein tyrosine phosphatase (LMPTP) acts as a critical promoter of insulin resistance in obesity by inhibiting phosphorylation of the liver insulin receptor activation motif. Here, we report development of a novel purine-based chem. series of LMPTP inhibitors. These compounds inhibit LMPTP with an uncompetitive mechanism and are highly selective for LMPTP over other protein tyrosine phosphatases. We also report the generation of a highly orally bioavailable purine-based analog that reverses obesity-induced diabetes in mice. The experimental part of the paper was very detailed, including the reaction process of 3-Chlorobenzylchloride(cas: 620-20-2Recommanded Product: 620-20-2)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Recommanded Product: 620-20-2

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