Tag: 200-300

Formula: C8H7BrO2In 2016 ,《Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL)》 appeared in Journal of Medicinal Chemistry. The author of the article were Borkin, Dmitry; Pollock, Jonathan; Kempinska, Katarzyna; Purohit, Trupta; Li, Xiaoqin; Wen, Bo; Zhao, Ting; Miao, Hongzhi; Shukla, Shirish; He, Miao; Sun, Duxin; Cierpicki, Tomasz; Grembecka, Jolanta. The article conveys some information:

Development of potent small mol. inhibitors of protein-protein interactions with optimized druglike properties represents a challenging task in lead optimization process. Here, we report synthesis and structure-based optimization of new thienopyrimidine class of compounds, which block the protein-protein interaction between menin and MLL fusion proteins that plays an important role in acute leukemias with MLL translocations. We performed simultaneous optimization of both activity and druglike properties through systematic exploration of substituents introduced to the indole ring of lead compound 1 (MI-136) to identify compounds suitable for in vivo studies in mice. This work resulted in the identification of compound 27 (MI-538), which showed significantly increased activity, selectivity, polarity, and pharmacokinetic profile over 1 and demonstrated a pronounced effect in a mouse model of MLL leukemia. This study, which reports detailed structure-activity and structure-property relationships for the menin-MLL inhibitors, demonstrates challenges in optimizing inhibitors of protein-protein interactions for potential therapeutic applications. After reading the article, we found that the author used 3-Bromo-2-methylbenzoic acid(cas: 76006-33-2Formula: C8H7BrO2)

3-Bromo-2-methylbenzoic acid(cas: 76006-33-2) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Some of these compounds are identical to man-made organobromine compounds, such as methyl bromide, bromoform, and bromophenols, but many others are entirely new moleclar entities, often possessing extraordinary and important biological properties. Formula: C8H7BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Computed Properties of C9H11BrO3In 2021 ,《Tuning the Molecular Packing of Self-Assembled Amphiphilic PtII Complexes by Varying the Hydrophilic Side-Chain Length》 appeared in Chemistry – A European Journal. The author of the article were Herkert, Lorena; Selter, Philipp; Daniliuc, Constantin G.; Baeumer, Nils; Palakkal, Jasnamol P.; Fernandez, Gustavo; Hansen, Michael Ryan. The article conveys some information:

Understanding the relation between mol. design and packing modes constitutes one of the major challenges in self-assembly and is essential for the preparation of functional materials. Herein, the authors have achieved high precision control over the supramol. packing of amphiphilic PtII complexes by systematic variation of the hydrophilic side-chain length. A novel approach of general applicability based on complementary x-ray diffraction and solid-state NMR spectroscopy has allowed the authors to establish a clear correlation between mol. features and supramol. ordering. Systematically increasing the side-chain length gradually increases the steric demand and reduces the extent of aromatic interactions, thereby inducing a gradual shift in the mol. packing from parallel to a long-slipped organization. Notably, the authors’ findings highlight the necessity of advanced solid-state NMR techniques to gain structural information for supramol. systems where single-crystal growth is not possible. The authors’ work further demonstrates a new mol. design strategy to modulate aromatic interaction strengths and packing arrangements that could be useful for the engineering of functional materials based on PtII and aromatic mols. In the experiment, the researchers used many compounds, for example, 1-Bromo-3,4,5-trimethoxybenzene(cas: 2675-79-8Computed Properties of C9H11BrO3)

1-Bromo-3,4,5-trimethoxybenzene(cas: 2675-79-8) is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.Computed Properties of C9H11BrO31-Bromo-3,4,5-trimethoxybenzene can be used to synthesize analogs of HA14-1, which shows promising anticancer properties.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Safety of Bromopentacarbonylmanganese(I)In 2022 ,《Synthesis and properties of a new nine-membered triphospha-macrocyclic complex via a manganese(I) tricarbonyl template》 appeared in Journal of Molecular Structure. The author of the article were Zhang, Wenjian; Levason, William; Reid, Gillian. The article conveys some information:

Reaction of the primary diphosphine H2P(CH2)2PH2 with [MnBr(CO)5], followed by removal of the bromide by treatment with AgOTf (OTf = CF3SO3) and addition of PAr3 (Ar = o-C6H4F), gives the acyclic precursor complex, fac-[Mn(CO)3{H2P(CH2)2PH2}(PAr3)][OTf], thus positioning the primary phosphine functions adjacent to the o-fluorophenyl substituents. The identity of this species was confirmed by multinuclear NMR (1H, 19F{1H}, 31P{1H} and 55Mn) and IR spectroscopic anal., as well as from a single crystal x-ray anal. Subsequent treatment of this complex with KOtBu (potassium tertiary butoxide) causes a double P-C coupling reaction, with defluorination of two aryl groups, and gives a nine-membered triphosphine macrocyclic complex. Methylation (KOtBu/MeI) of the two remaining secondary phosphine function yields the complex [Mn(CO)3(1)][OTf], which was characterized similarly by multinuclear NMR and IR spectroscopy, and by electrospray mass spectrometry. A single crystal x-ray structure determination confirms the distorted octahedral coordination at Mn(I), with the triphosphine macrocycle occupying three mutually facial coordination sites. As expected, this complex is extremely thermodynamically stable and kinetically inert, being unaffected by prolonged refluxing with either Me3NO or thiophenolate in MeCN. After reading the article, we found that the author used Bromopentacarbonylmanganese(I)(cas: 14516-54-2Safety of Bromopentacarbonylmanganese(I))

Bromopentacarbonylmanganese(I)(cas: 14516-54-2) has many other uses. It is used in the formation of (eta6-arene)tricarbonylmanganese(I) by reacting with arene (arene= hexamethyl benzene, 1,2,4,5-tetramethyl benzene, mesitylene, p-xylene and toluene) in the presence silver salt.Safety of Bromopentacarbonylmanganese(I)

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2022,Motornov, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L. published an article in New Journal of Chemistry. The title of the article was 《Oxidative [3+2]-annulation of nitroalkenes and azolium ylides in the presence of Cu(II): efficient synthesis of [5,5]-annulated N-fused heterocycles》.Computed Properties of C9H9BrO2 The author mentioned the following in the article:

A facile synthesis of [5,5]-annulated N-fused heterocycles – pyrrolo[2,1-b]thiazoles and pyrrolo[1,2-b]indazoles via oxidative [3+2]-annulation between nitroalkenes and azolium ylides in the presence of copper(II) was developed. The reaction proceeds in mild conditions with the copper(II) trifluoroacetate/2,6-lutidine system. The method is applicable to a broad range of nitroalkenes and azolium salts, providing the target N-fused heterocycles in moderate to good yields. In the case of α-fluoronitroalkenes, unique fluorinated derivatives were accessed via this methodol. The experimental process involved the reaction of Benzyl 2-bromoacetate(cas: 5437-45-6Computed Properties of C9H9BrO2)

Benzyl 2-bromoacetate(cas: 5437-45-6) has been used in the alkylation of (-)-2,3-O-isopropylidene-D-threitol that afforded lipopeptide, 2-[(4R,5R)-5-({[(9H-fluoren-9-yl)methoxy]carbonylaminomethyl}-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid.Computed Properties of C9H9BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2022,Panagiotakis, Stylianos; Mavroidi, Barbara; Athanasopoulos, Alexandros; Charalambidis, Georgios; Coutsolelos, Athanassios G.; Paravatou-Petsotas, Maria; Pelecanou, Maria; Mavridis, Irene M.; Yannakopoulou, Konstantina published an article in Carbohydrate Polymers. The title of the article was 《Unsymmetrical, monocarboxyalkyl meso-arylporphyrins in the photokilling of breast cancer cells using permethyl-β-cyclodextrin as sequestrant and cell uptake modulator》.Computed Properties of C7H13BrO2 The author mentioned the following in the article:

In the search for photosensitizers with chem. handles to facilitate their integration into complex drug delivery nanosystems, new, unsym. substituted, water insoluble meso-tetraphenylporphyrin and meso-tetra(m-hydroxyphenyl)porphyrin derivatives bearing one carboxyalkyl side chain were synthesized. Permethyl-β-cyclodextrin (pMβCD) was their ideal monomerizing host and highly efficient shuttle to transfer them into water. New assembly modes of the extremely stable (Kbinding > 1012 M-2) 2:1 complexes were identified. The complexes are photostable and do not disassemble in FBS-containing cell culture media for 24 h. Incubation of breast cancer MCF-7 cells with the complexes results in intense intracellular fluorescence, strongly enhanced in the endoplasmic reticulum (ER), high photokilling efficiency (∼90%) and low dark toxicity. pMβCD stands out as a very capable mol. isolator of mono-carboxyalkyl-arylporphyrins that increases uptake and modulates their localization in the cells. The most efficient porphyrins are envisaged as suitable photosensitizers that can be linked to biocompatible drug carriers for photo- and chemo-therapy applications. In the experimental materials used by the author, we found Ethyl 5-bromovalerate(cas: 14660-52-7Computed Properties of C7H13BrO2)

Ethyl 5-bromovalerate(cas: 14660-52-7) belongs to bromides. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact.Computed Properties of C7H13BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2022,Kaya, Kemal; Khalil, Mohammed; Fetrow, Benjamin; Fritz, Hugh; Jagadesan, Pradeepkumar; Bondu, Virginie; Ista, Linnea; Chi, Eva Y.; Schanze, Kirk S.; Whitten, David G.; Kell, Alison published an article in ACS Applied Materials & Interfaces. The title of the article was 《Rapid and Effective Inactivation of SARS-CoV-2 with a Cationic Conjugated Oligomer with Visible Light: Studies of Antiviral Activity in Solutions and on Supports》.Reference of 2,5-Dibromothiophene The author mentioned the following in the article:

This paper presents results of a study of a new cationic oligomer that contains end groups and a chromophore affording inactivation of SARS-CoV-2 by visible light irradiation in solution or as a solid coating on paper wipes and glass fiber filtration substrates. A key finding of this study is that the cationic oligomer with a central thiophene ring and imidazolium charged groups gives outstanding performance in both the killing of E. coli bacterial cells and inactivation of the virus at very short times. Our introduction of cationic N-Me imidazolium groups enhances the light activation process for both E. coli and SARS-CoV-2 but dampens the killing of the bacteria and eliminates the inactivation of the virus in the dark. For the studies with this oligomer in solution at a concentration of 1μg/mL and E. coli, we obtain 3 log killing of the bacteria with 10 min of irradiation with LuzChem cool white lights (mimicking indoor illumination). With the oligomer in solution at a concentration of 10μg/mL, we observe 4 log inactivation (99.99%) in 5 min of irradiation and total inactivation after 10 min. The oligomer is quite active against E. coli on oligomer-coated paper wipes and glass fiber filter supports. The SARS-CoV-2 is also inactivated by oligomer-coated glass fiber filter papers. This study indicates that these oligomer-coated materials may be very useful as wipes and filtration materials. In the part of experimental materials, we found many familiar compounds, such as 2,5-Dibromothiophene(cas: 3141-27-3Reference of 2,5-Dibromothiophene)

2,5-Dibromothiophene(cas: 3141-27-3) , is mainly used as pharmaceutical intermediate and synthesis intermediate. 2,5-Dibromothiophene may be used as starting reagent for the synthesis of α,α′-didecylquater-, -quinque- and -sexi-thiophenes.Reference of 2,5-Dibromothiophene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Jayaprakash, Harikrishnan published an article in 2021. The article was titled 《Mn(I) phosphine-amino-phosphinites: a highly modular class of pincer complexes for enantioselective transfer hydrogenation of aryl-alkyl ketones》, and you may find the article in Dalton Transactions.Name: Bromopentacarbonylmanganese(I) The information in the text is summarized as follows:

A series of Mn(I) catalysts with readily accessible and more π-accepting phosphine-amino-phosphinite (P'(O)N(H)P) pincer ligands have been explored for the asym. transfer hydrogenation of aryl-alkyl ketones which led to good to high enantioselectivities (up to 98%) compared to other reported Mn-based catalysts for such reactions. The easy tunability of the chiral backbone and the phosphine moieties makes P'(O)N(H)P an alternative ligand framework to the well-known PNP-type pincers.Bromopentacarbonylmanganese(I)(cas: 14516-54-2Name: Bromopentacarbonylmanganese(I)) was used in this study.

Bromopentacarbonylmanganese(I)(cas: 14516-54-2) has many other uses. It is used in the formation of (eta6-arene)tricarbonylmanganese(I) by reacting with arene (arene= hexamethyl benzene, 1,2,4,5-tetramethyl benzene, mesitylene, p-xylene and toluene) in the presence silver salt.Name: Bromopentacarbonylmanganese(I)

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yang, Woojin; Yoon, Younggun; Lee, Yunjee; Oh, Hyeongyeol; Choi, Jieun; Shin, Sujin; Lee, Seongsoo; Lee, Hohjai; Lee, Yunho; Seo, Jiwon published an article in 2021. The article was titled 《Photosensitizer-peptoid conjugates for photoinactivation of Gram-negative bacteria: structure-activity relationship and mechanistic studies》, and you may find the article in Organic & Biomolecular Chemistry.Recommanded Product: Ethyl 5-bromovalerate The information in the text is summarized as follows:

Multitarget engagement is considered an effective strategy to overcome the threat of bacterial infection, and antimicrobials with multiple mechanisms of action have been successful as natural chem. weaponry. Here, we synthesized a library of photosensitizer-peptoid conjugates (PsPCs) as novel antimicrobial photodynamic therapy (aPDT) agents. The peptoids, linkers, and photosensitizers were varied, and their structure-antimicrobial activity relationships against Escherichia coli were evaluated; PsPC 9 was indicated to be the most promising photoresponsive antimicrobial agent among the synthesized PsPCs. Spectroscopic analyses indicated that 9 generated singlet oxygen upon absorption of visible light (420 nm) while maintaining the weakly helical conformation of the peptoid. Mechanistic studies suggested that damage to the bacterial membrane and cleavage of DNA upon light irradiation were the main causes of bactericidal activity, which was supported by flow cytometry and DNA gel electrophoresis experiments We demonstrated that the optimal combination of membrane-active peptoids and photosensitizers can generate an efficient aPDT agent that targets multiple sites of bacterial components and kills bacteria by membrane disruption and reactive oxygen species generation. The results came from multiple reactions, including the reaction of Ethyl 5-bromovalerate(cas: 14660-52-7Recommanded Product: Ethyl 5-bromovalerate)

Ethyl 5-bromovalerate(cas: 14660-52-7) belongs to bromides. One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.Recommanded Product: Ethyl 5-bromovalerate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Tang, Xuehang; Ning, Mengmeng; Ye, Yangliang; Gu, Yipei; Yan, Hongyi; Leng, Ying; Shen, Jianhua published an article in 2021. The article was titled 《Discovery of novel ketoxime ether derivatives with potent FXR agonistic activity, oral effectiveness and high liver/blood ratio》, and you may find the article in Bioorganic & Medicinal Chemistry.Related Products of 1129-28-8 The information in the text is summarized as follows:

The farnesoid X receptor (FXR) is a promising therapeutic target for nonalcoholic steatohepatitis (NASH) and other bile acid related diseases because it plays a critical role in fibrosis, inflammation and bile acid homeostasis. Obeticholic acid (OCA), a FXR agonist which was synthesized from chenodeoxycholic acid, showed desirable curative effects in clin. trials. However, the pruritus which was the main side effect of OCA limited its further applications in NASH. Although pruritus was also observed in the clin. trials of non-steroidal FXR agonists, the proportion of patients with pruritus was much smaller than that of OCA. Thus, we decided to develop non-steroidal FXR agonists and discovered a series of novel FXR agonists which were synthesized from GW4064 by replacing the stilbene group with ketoxime ether. Encouragingly, in the following biol. tests, our target compounds I and II not only showed potent FXR agonistic activities in vitro, but also effectively promoted the expression of target genes in vivo. More importantly, in the pharmacokinetic experiments, compounds I and II displayed high liver/blood ratio characteristics which were helpful to reduce the potential side effects which were caused by prolonged systemic activation of FXR. In summary, our compounds were good choices for the development of non-steroidal FXR agonists and were deserved further investigation. The experimental part of the paper was very detailed, including the reaction process of 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. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. The most pervasive is the naturally produced bromomethane.Related Products of 1129-28-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chen, Yihan; Xu, Zhaoran; Hu, Wenrui; Li, Xiaojing; Cheng, Yixiang; Quan, Yiwu published their research in Macromolecular Rapid Communications in 2021. The article was titled 《Strong-Induced CPL Emission Promoted from Achiral Conjugated Polymer-Containing Emissive Nematic Liquid Crystals (P-N*-LCs)》.SDS of cas: 629-03-8 The article contains the following contents:

With the rapid development on 3D printing technol., more and more works have been devoted to 3D display. 3D display will really come true by using circularly polarized luminescence (CPL)-active materials with both high quantum yield and dissymmetry factor (gem) in organic light-emitting diode OLED or liquid crystals (LCs). But so far most of these CPL materials cannot meet the real application requirement because of the low gem values in the range of 10-5-10-2. In this paper, ternary chiral emissive LCs (P-N*-LCs) is designed by doping chiral binaphthyl-based enantiomers as chiral dopant I (Guest 1) and achiral conjugated polymer as induced CPL emitter II (Guest 2) into nematic liquid crystal (N-LCs) Host 5CB. Both Guest 1 and Guest 2 show excellent compatibility with Host 5CB. The obtained ternary P-N*-LCs can emit strong-induced CPL signal with gem up to 1.12 and ΦFL up to 66.1%. This work first develops a new strategy for the smart design of excellent CPL materials from versatile achiral conjugation fluorescence polymers. In the experiment, the researchers used many compounds, for example, 1,6-Dibromohexane(cas: 629-03-8SDS of cas: 629-03-8)

1,6-Dibromohexane(cas: 629-03-8) is generally used to introduce C6 spacer in the molecular architecture. Some of the examples are: synthesis of pyrrolo-tetrathiafulvalene molecular bridge (6PTTF6) to study redox switching behavior of single molecules; synthesis of water-soluble thermoresponsive polylactides.SDS of cas: 629-03-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary