Category: 1129-28-8

《Activating Effect of 3-Benzylidene Oxindoles on AMPK: From Computer Simulation to High-Content Screening》 was published in ChemMedChem in 2020. These research results belong to Novikova, Daria S.; Grigoreva, Tatyana A.; Ivanov, Gleb S.; Melino, Gerry; Barlev, Nickolai A.; Tribulovich, Vyacheslav G.. Recommanded Product: 1129-28-8 The article mentions the following:

AMP-activated protein kinase (AMPK) is currently the subject of intensive study and active discussions. AMPK performs its functions both at the cellular level, providing the switch between energy-consuming and energy-producing processes, and at the whole body level, particularly, regulating certain aspects of higher nervous activity and behavior. Control of such a ′main switch′ compensates dysfunctions and associated diseases. In the present paper, we studied the binding of 3-benzylidene oxindoles to the kinase domain of the AMPK α-subunit, which is thought to prevent its interaction with the autoinhibitory domain and thus result in the AMPK activation. For this purpose, we developed the cellular test system based on the AMPKAR plasmid, which implements the FRET effect, synthesized a number of 3-benzylidene oxindole compounds and simulated their binding to various sites of the kinase domain. The most probable binding site for the studied compounds was established by the correlation of calculated and exptl. data. The obtained results allow to analyze various classes of AMPK activators using virtual and high-content screening. In the part of experimental materials, we found many familiar compounds, such as Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Recommanded Product: 1129-28-8)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. Recommanded Product: 1129-28-8 The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2018,Novikova, Daria S.; Grigoreva, Tatyana A.; Zolotarev, Andrey A.; Garabadzhiu, Alexander V.; Tribulovich, Vyacheslav G. published 《Advanced palladium free approach to the synthesis of substituted alkene oxindoles via aluminum-promoted Knoevenagel reaction》.RSC Advances published the findings.Recommanded Product: Methyl 3-(bromomethyl)benzoate The information in the text is summarized as follows:

A synthetic route for the synthesis of (E)-3-((3-((4-Chlorophenyl)(phenyl)methylene)-2-oxoindolin-1-yl)methyl)benzoic acid (I), as well as for the design of focused libraries of direct AMP-activated protein kinase (AMPK) activators was developed based on a convergent strategy. The proposed scheme corresponded to the current trends in C-H bond functionalization. The use of aluminum isopropoxide as catalyst for synthesis of substituted indolinones II [R1 = H, 4-Cl, 4-OMe, etc.; R2 = H, Me, Ph, etc.; stereo = E, Z] via Knoevenagel condensation of oxindole with benzophenones was a noticeable point of this work.Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Recommanded Product: Methyl 3-(bromomethyl)benzoate) was used in this study.

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Recommanded Product: Methyl 3-(bromomethyl)benzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2017,Hong, Wei; Li, Jingyang; Chang, Zhe; Tan, Xiaoli; Yang, Hao; Ouyang, Yifan; Yang, Yanhui; Kaur, Sargit; Paterson, Ian C.; Ngeow, Yun Fong; Wang, Hao published 《Synthesis and biological evaluation of indole core-based derivatives with potent antibacterial activity against resistant bacterial pathogens》.Journal of Antibiotics published the findings.Safety of Methyl 3-(bromomethyl)benzoate The information in the text is summarized as follows:

The emergence of drug resistance in bacterial pathogens is a growing clin. problem that poses difficult challenges in patient management. To exacerbate this problem, there is currently a serious lack of antibacterial agents that are designed to target extremely drug-resistant bacterial strains. Here the authors describe the design, synthesis and antibacterial testing of a series of 40 novel indole core derivatives, which are predicated by mol. modeling to be potential glycosyltransferase inhibitors. Twenty of these derivatives were found to show in vitro inhibition of Gram-pos. bacteria, including methicillin-resistant Staphylococcus aureus. Four of these strains showed addnl. activity against Gram-neg. bacteria, including extended-spectrum β-lactamase producing Enterobacteriaceae, imipenem-resistant Klebsiella pneumoniae and multidrug-resistant Acinetobacter baumanii, and against Mycobacterium tuberculosis H37Ra. These four compounds are candidates for developing into broad-spectrum anti-infective agents. In the experiment, the researchers used many compounds, for example, Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Safety of Methyl 3-(bromomethyl)benzoate)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides.Safety of Methyl 3-(bromomethyl)benzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Hermann, Theresa; Hochegger, Patrick; Dolensky, Johanna; Seebacher, Werner; Saf, Robert; Kaiser, Marcel; Maeser, Pascal; Weis, Robert published their research in Pharmaceuticals in 2021. The article was titled 《New acyl derivatives of 3-aminofurazanes and their antiplasmodial activities》.Computed Properties of C9H9BrO2 The article contains the following contents:

An N-acylated furazan-3-amine of a Medicines for Malaria Venture (MMV) project has shown activity against different strains of Plasmodium falciparum. Seventeen new derivatives were prepared and tested in vitro for their activities against blood stages of two strains of Plasmodium falciparum. Several structure-activity relationships were revealed. The activity strongly depended on the nature of the acyl moiety. Only benzamides showed promising activity. The substitution pattern of their Ph ring affected the activity and the cytotoxicity of compounds In addition, physicochem. parameters were calculated (log P, log D, ligand efficiency) or determined exptl. (permeability) via a PAMPA. The N-(4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl)-3-(trifluoromethyl)benzamide possessed good physicochem. properties and showed high antiplasmodial activity against a chloroquine-sensitive strain (IC50(NF54) = 0.019 μM) and even higher antiplasmodial activity against a multiresistant strain (IC50(K1) = 0.007 μM). Compared to the MMV compound, the permeability and the activity against the multiresistant strain were improved. The results came from multiple reactions, including the reaction of Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Computed Properties of C9H9BrO2)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. Computed Properties of C9H9BrO2 The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Synthesis of L-tricholomic acid analogs and pharmacological characterization at ionotropic glutamate receptors》 was written by Tamborini, Lucia; Mastronardi, Federica; Lo Presti, Leonardo; Nielsen, Birgitte; De Micheli, Carlo; Conti, Paola; Pinto, Andrea. Formula: C9H9BrO2This research focused ontricholomic acid analog synthesis ionotropic glutamate receptor crystal structure; hydroxy isoxazoline pyrazoline cycloaddition cyclization. The article conveys some information:

The synthesis of analogs of the natural compound L-tricholomic acid and of its threo diastereoisomer was accomplished in order to explore their affinity for glutamate ionotropic receptors. In this study, fourteen new unnatural amino acids, characterized by a 3-hydroxy-Δ2-isoxazoline or 3-hydroxy-Δ2-pyrazoline-skeleton, were obtained exploiting, as key reaction, a 1,3-dipolar cycloaddition or an intramol. cyclization. In the experimental materials used by the author, we found Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Formula: C9H9BrO2)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Formula: C9H9BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Optimization of the benzamide fragment targeting the S2′ site leads to potent dipeptidyl peptidase-IV inhibitors》 was published in Bioorganic Chemistry in 2020. These research results belong to Deng, Xiaoyan; Wang, Na; Meng, Liuwei; Zhou, Siru; Huang, Junli; Xing, Junhao; He, Linhong; Jiang, Weizhe; Li, Qing. SDS of cas: 1129-28-8 The article mentions the following:

Our recently successful identification of benzoic acid-based DPP-4 inhibitors spurs the further quest for in-depth structure-activity relationships (SAR) study in S2′ site DPP-4. Thus novel benzamide fragments were designed to target the S2′ site to compromise lipophilicity and improve oral activity. Exploring SAR by introduction of a variety of amide and halogen on benzene ring led to identification of several compounds, exerting moderated to excellent DPP-4 activities, in which 4′-chlorine substituted Me amide, (R)-3-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl)-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)methyl)-4-chloro-N-methylbenzamide hydro chloride (17g), [2380226-71-9], showed most potent DPP-4 activity with the IC50 value of 1.6 nM. Its activity was superior to reference alogliptin. Docking study ideally verified and interpreted the obtained SAR of designed compounds As a continuation, DPP-8/9 assays revealed the designed compounds exhibited good selectivity over DPP-8 and DPP-9. Subsequent cell-based test indicated (17g) displayed low toxicity toward the LO2 cell line up to 100μM. In vivo evaluation showed (17g) robustly improved the glucose tolerance in normal mice. Importantly, (17g) exhibited reasonable pharmacokinetic (PK) profiles for oral delivery. Overall, (17g) has the potential to a safe and efficacious DPP-4 inhibitor for T2DM treatment. In the experimental materials used by the author, we found Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8SDS of cas: 1129-28-8)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides. SDS of cas: 1129-28-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2019,Journal of Medicinal Chemistry included an article by Lee, Taekyu; Christov, Plamen P.; Shaw, Subrata; Tarr, James C.; Zhao, Bin; Veerasamy, Nagarathanam; Jeon, Kyu Ok; Mills, Jonathan J.; Bian, Zhiguo; Sensintaffar, John L.; Arnold, Allison L.; Fogarty, Stuart A.; Perry, Evan; Ramsey, Haley E.; Cook, Rebecca S.; Hollingshead, Melinda; Davis Millin, Myrtle; Lee, Kyung-min; Koss, Brian; Budhraja, Amit; Opferman, Joseph T.; Kim, Kwangho; Arteaga, Carlos L.; Moore, William J.; Olejniczak, Edward T.; Savona, Michael R.; Fesik, Stephen W.. Application of 1129-28-8. The article was titled 《Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors That Demonstrate in Vivo Activity in Mouse Xenograft Models of Human Cancer》. The information in the text is summarized as follows:

Overexpression of myeloid cell leukemia-1 (Mcl-1) in cancers correlates with high tumor grade and poor survival. Addnl., Mcl-1 drives intrinsic and acquired resistance to many cancer therapeutics, including B cell lymphoma 2 family inhibitors, proteasome inhibitors, and antitubulins. Therefore, Mcl-1 inhibition could serve as a strategy to target cancers that require Mcl-1 to evade apoptosis. Herein, we describe the use of structure-based design to discover a novel compound (42) that robustly and specifically inhibits Mcl-1 in cell culture and animal xenograft models. Compound 42 binds to Mcl-1 with picomolar affinity and inhibited growth of Mcl-1-dependent tumor cell lines in the nanomolar range. Compound 42 also inhibited the growth of hematol. and triple neg. breast cancer xenografts at well-tolerated doses. These findings highlight the use of structure-based design to identify small mol. Mcl-1 inhibitors and support the use of 42 as a potential treatment strategy to block Mcl-1 activity and induce apoptosis in Mcl-1-dependent cancers. After reading the article, we found that the author used Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Application of 1129-28-8)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Application of 1129-28-8 Alkyl bromides are mainly used as alkylating agents and also find application as a solvent to extract oil from seeds and wool.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Discovery of an Orally Bioavailable Gonadotropin-Releasing Hormone Receptor Antagonist》 was written by Kim, Seon-Mi; Lee, Minhee; Lee, So Young; Park, Euisun; Lee, Soo-Min; Kim, Eun Jeong; Han, Min Young; Yoo, Taekyung; Ann, Jihyae; Yoon, Suyoung; Lee, Jiyoun; Lee, Jeewoo. Application In Synthesis of Methyl 3-(bromomethyl)benzoateThis research focused onuracil derivative SKI2496 preparation GnRH receptor antagonist pharmacokinetics. The article conveys some information:

The authors developed a compound library for orally available gonadotropin-releasing hormone (GnRH) receptor antagonists that were based on a uracil scaffold. Based on in vitro activity and CYP inhibition profile, the authors selected 18a ((R)-4-((2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-5-(4-((5-(trifluoromethyl)-furan-2-yl)methyl)-piperazin-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethyl)-amino)-butanoic acid, SKI2496) for further in vivo studies. Compound 18a exhibited more selective antagonistic activity toward the human GnRH receptors over the GnRHRs in monkeys and rats, and this compound also showed inhibitory effects on GnRH-mediated signaling pathways. Pharmacokinetic and pharmacodynamic evaluations of 18a revealed improved bioavailability and superior gonadotropic suppression activity compared with Elagolix, the most clin. advanced compound Considering that 18a exhibited highly potent and selective antagonistic activity toward the hGnRHRs along with favorable pharmacokinetic profiles, the authors believe that 18a may represent a promising candidate for an orally available hormonal therapy. The experimental process involved the reaction of Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Application In Synthesis of Methyl 3-(bromomethyl)benzoate)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Due to the reactivity of bromide, they are used as potential precursors or important intermediates in organic synthesis. Application In Synthesis of Methyl 3-(bromomethyl)benzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2019,ACS Medicinal Chemistry Letters included an article by Mori, Mattia; Dasso Lang, Maria Chiara; Saladini, Francesco; Palombi, Nastasja; Kovalenko, Lesia; De Forni, Davide; Poddesu, Barbara; Friggeri, Laura; Giannini, Alessia; Malancona, Savina; Summa, Vincenzo; Zazzi, Maurizio; Mely, Yves; Botta, Maurizio. Product Details of 1129-28-8. The article was titled 《Synthesis and Evaluation of Bifunctional Aminothiazoles as Antiretrovirals Targeting the HIV-1 Nucleocapsid Protein》. The information in the text is summarized as follows:

Small mol. inhibitors of the HIV-1 nucleocapsid protein (NC) are considered as promising agents in the treatment of HIV/AIDS. In an effort to exploit the privileged 2-amino-4-phenylthiazole moiety in NC inhibition, here we conceived, synthesized, and tested in vitro 18 NC inhibitors (NCIs) bearing a double functionalization. In these NCIs, one part of the mol. is designed to interact noncovalently with the NC hydrophobic pocket, while the second portion is designed to interact with the N-terminal domain of NC. This binding hypothesis was verified by mol. dynamics simulations, while the linkage between these two pharmacophores was found to enhance antiretroviral activity both on the wild-type virus and on HIV-1 strains with resistance to currently licensed drugs. The two most interesting compounds, I and II, showed no cytotoxicity, thus becoming valuable leads for further investigations. In the experimental materials used by the author, we found Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Product Details of 1129-28-8)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Product Details of 1129-28-8 Alkyl bromides are mainly used as alkylating agents and also find application as a solvent to extract oil from seeds and wool.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Triazole Bridged Flavonoid Dimers as Potent, Nontoxic, and Highly Selective Breast Cancer Resistance Protein (BCRP/ABCG2) Inhibitors》 was written by Zhu, Xuezhen; Wong, Iris L. K.; Chan, Kin-Fai; Cui, Jiahua; Law, Man Chun; Chong, Tsz Cheung; Hu, Xuesen; Chow, Larry M. C.; Chan, Tak Hang. Related Products of 1129-28-8This research focused ontriazole bridged flavonoid dimer breast cancer SAR docking. The article conveys some information:

The present work describes the syntheses of diverse triazole bridged flavonoid dimers and identifies potent, nontoxic, and highly selective BCRP inhibitors. A homodimer, Ac22(Az8)2, with m-methoxycarbonylbenzyloxy substitution at C-3 of the flavone moieties and a bis-triazole-containing linker (21 atoms between the two flavones) showed low toxicity (IC50 toward L929, 3T3, and HFF-1 > 100 μM), potent BCRP-inhibitory activity (EC50 = 1-2 nM), and high BCRP selectivity (BCRP selectivity over MRP1 and P-gp > 455-909). Ac22(Az8)2 inhibits BCRP-ATPase activity, blocks the drug efflux activity of BCRP, elevates the intracellular drug accumulation, and finally restores the drug sensitivity of BCRP-overexpressing cells. It does not down-regulate the surface BCRP protein expression to enhance the drug retention. Therefore, Ac22(Az8)2 and similar flavonoid dimers appear to be promising candidates for further development into combination therapy to overcome MDR cancers with BCRP overexpression. In the experimental materials used by the author, we found Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Related Products of 1129-28-8)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Related Products of 1129-28-8 In contrast, terrestrial plants account only for a few bromine-containing compounds.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary