Tag: 100-200

Nozawa-Kumada, Kanako; Matsuzawa, Yuta; Ono, Kanako; Shigeno, Masanori; Kondo, Yoshinori published an article in 2021. The article was titled 《Copper-catalyzed aerobic double functionalization of benzylic C(sp3)-H bonds for the synthesis of 3-hydroxyisoindolinones》, and you may find the article in Chemical Communications (Cambridge, United Kingdom).Synthetic Route of C7H5BrO The information in the text is summarized as follows:

An aerobic copper-catalyzed synthesis of 3-hydroxyisoindolinones I (R1 = Ph, 3-thienyl, OMe, etc., R2 = Me, Ph, cyclopropyl, etc., R3 = Me, F, Cl, H, R4 = H, MeO, CF3, R3R4 = OCH2O) was developed via the benzylic double C(sp3)-H functionalization of 2-alkylbenzamides II. In this reaction, mol. oxygen was used as both an oxidant for C(sp3)-H functionalization and an oxygen source. The method can be extended to diverse benzylic C(sp3)-H bonds and shows excellent functional group tolerance. The results came from multiple reactions, including the reaction of o-Bromobenzaldehyde(cas: 6630-33-7Synthetic Route of C7H5BrO)

o-Bromobenzaldehyde(cas: 6630-33-7) is used in L-threonine aldolase-catalyzed enantio/diastereoselective aldol reactions.Synthetic Route of C7H5BrOSynthetic applications of o-Bromobenzaldehyde include: synthesis of aza-fused polycyclic quinolines through copper-catalyzed cascade reaction, preparation of 1-substituted indazoles by CuI-catalyzed coupling with N-aryl hydrazides.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Synthesis of vinca alkaloid-triphenylphosphine derivatives having potential antitumor effect》 were Keglevich, Andras; Szigetvari, Aron; Dekany, Miklos; Szantay, Csaba Jr.; Keglevich, Peter; Hazai, Laszlo. And the article was published in Phosphorus, Sulfur and Silicon and the Related Elements in 2019. Safety of 4-Bromobutanoic acid The author mentioned the following in the article:

The successful therapy of cancer is still unresolved. For that reason enormous efforts are being made to increase the effectiveness of anticancer drugs and reduce their side effects at least. An important approach to the development of selective mols. is the synthesis of drug conjugates, also called as “”hybrids””. Taking this into consideration two Vinca alkaloid derivatives conjugated with triphenylphosphine have been synthesized. The incorporation of the mentioned two pharmacophores in the same mol. could amplify the evolving cumulative antineoplastic impact and/or counterbalance the side effects. Thus a development of hybrid anticancer mols. has been started by synthesis of Vinca alkaloid-triphenylphosphine conjugates, which could have higher efficacies and safety profiles than the present drugs available in market. The experimental part of the paper was very detailed, including the reaction process of 4-Bromobutanoic acid(cas: 2623-87-2Safety of 4-Bromobutanoic acid)

4-Bromobutanoic acid(cas: 2623-87-2) belongs to carboxylic acids. The chief chemical characteristic of the carboxylic acids is their acidity. They are generally more acidic than other organic compounds containing hydroxyl groups but are generally weaker than the familiar mineral acids (e.g., hydrochloric acid, HCl, sulfuric acid, H2SO4, etc.).Safety of 4-Bromobutanoic acid

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

SDS of cas: 3395-91-3In 2019 ,《Quantitative structure-activity and quantitative structure-property relationship approaches as alternative skin sensitization risk assessment methods》 was published in Journal of Toxicology and Environmental Health, Part A: Current Issues. The article was written by Kim, Ji Yun; Kim, Min Kook; Kim, Kyu-Bong; Kim, Hyung Sik; Lee, Byung-Mu. The article contains the following contents:

This study aimed to predict skin sensitization potency of selected chems. by quant. analyzing their physicochem. properties by employing quant. structure-activity relationship (QSAR) and quant. structure-property relationship (QSPR) approaches as alternative risk assessment methods to animal testing. Correlations between effective concentration for a stimulation index of 3 (EC3) (%), the amount of a chem. required to elicit a threefold increase in lymph node cell proliferative activity (stimulation index, ≥3), were calculated using local lymph node assay (LLNA) and physicochem. properties of 212 skin sensitizers and 38 non-sensitizers were investigated. The correlation coefficients between m.p. (MP) and EC3 and between surface tension (ST) and EC3 were 0.65 and 0.69, resp. Thus, correlation coefficients between EC3 and MP, ST, and MP + ST reliably predicted the skin sensitization potential of the chems. with sensitivities of 72% (126/175), 70% (122/174), and 73% (116/158); specificities of 77% (27/35), 69% (22/32), and 81% (26/32); and accuracies of 73% (153/210), 70% (144/206), and 75% (142/190), resp. Our findings suggest that the EC3 value may be more accurately predicted using the ST values of chems. as opposed to MP values. Thus, information on MP and ST parameters of chems. might be useful for predicting the EC3 values as not only an alternative approach to animal testing, but as a risk assessment method for skin sensitization. In the experimental materials used by the author, we found Methyl 3-bromopropanoate(cas: 3395-91-3SDS of cas: 3395-91-3)

Methyl 3-bromopropanoate(cas: 3395-91-3) 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.SDS of cas: 3395-91-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2022,Xu, Yin-Xiang; Song, Yu-Meng; Chen, Chao-Yan; Shen, Jia-Wen; Zhu, Hai-Liang published an article in Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy. The title of the article was 《A pH-applicative fluorescent probe with long measuring range for monitoring hydrazine in water samples and Arabidopsis thaliana》.Reference of 4-Bromobutanoic acid The author mentioned the following in the article:

In this work, a fluorescent probe, RhodCl-Hz, with pH-applicative capability and long measuring range, was developed to serve the topic on the enrichment process of hydrazine. It was practical due to the clear acid-base boundary and the sectioned linear ranges. With the excitation wavelength of 515 nm and the emission peak at 565 nm, the detecting system was steady. It exhibited a clear cut-off point at pH 7.0 and steady fluorescence signals within the range of 7.0-10.0. As a whole, the linear range of 10.0-500 μM (1.0-50.0 equiv) was long. The limit of detection value was calculated as 0.64 μM. With high selectivity, RhodCl-Hz was applied to suit water samples and biol. imaging in both Arabidopsis Thaliana root tips and living MCF-7 cells. The information here might be helpful for revealing the enrichment process of hydrazine. In addition to this study using 4-Bromobutanoic acid, there are many other studies that have used 4-Bromobutanoic acid(cas: 2623-87-2Reference of 4-Bromobutanoic acid) was used in this study.

4-Bromobutanoic acid(cas: 2623-87-2) belongs to carboxylic acids. The chief chemical characteristic of the carboxylic acids is their acidity. They are generally more acidic than other organic compounds containing hydroxyl groups but are generally weaker than the familiar mineral acids (e.g., hydrochloric acid, HCl, sulfuric acid, H2SO4, etc.).Reference of 4-Bromobutanoic acid

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Recommanded Product: Ethyl 4-bromobutyrateIn 2022 ,《Mineralization of calcium phosphate on two-dimensional polymer films with controllable density of carboxyl groups》 appeared in Journal of Materials Chemistry B: Materials for Biology and Medicine. The author of the article were Zhang, Xinyu; Wu, Lingli; Feng, Guangyuan; Lei, Shengbin. The article conveys some information:

Two-dimensional polymers functionalized with controllable d. of carboxyl groups were constructed with the Langmuir-Blodgett method. Mineralization of calcium phosphate shows significantly different characteristics on these films, which clearly indicates that the d. of carboxy groups plays a determining role in controlling the nucleation and orientated growth of calcium phosphate. In the experimental materials used by the author, we found Ethyl 4-bromobutyrate(cas: 2969-81-5Recommanded Product: Ethyl 4-bromobutyrate)

Ethyl 4-bromobutyrate(cas: 2969-81-5) 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 4-bromobutyrate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Recommanded Product: 3395-91-3In 2016 ,《Novel 2,4-thiazolidinedione analogues as cytotoxic agents: synthesis and biological screening》 was published in International Journal of Pharmaceutical Research and Bio-Science. The article was written by Shah, Dhaval G.; Patel, Laxman J.. The article contains the following contents:

Novel thiazolidinedione derivatives I (R1 = H, CH2CO2H, CH2CO2Et, etc.; R2 = benzoyl, 2,3-dichlorobenzoyl, 2,4-dichlorobenzoyl, etc.) were synthesized via reaction of N-benzoyl substituted aryl alkyl halide with N-substituted 2,4-thiazolidinedione derivatives and screened for their in vitro cytotoxic activity by MTT assay. The cell lines used were MCF 7 (Breast cancer cell), HELA (Cervical cancer cell line), HEK (Normal epidermal kidney cell line) HEP (Laryngeal cancer cell line) MDA MB 468 (Breast cancer cell line). Screening results showed moderate to good cytotoxic activity for all the compounds Compound I (R1 = CH2CO2H; R2 = 4-chlorobenzoyl) (IC50 = 3.63 μM, HEP, IC50 = 1.07 μM, HEK) and compound I (R1 = CH2CO2H; R2 = 2,3-dichlorobenzoyl) (IC50 = 1.09 μM, HELA, IC50 = 1.989 μM, M468, IC50 = 2.5 μM, MCF7) were found to be most active compared to standard methotrexate (IC50 = 0.22 μM HEP, IC50 = 0.072 μM HEK, IC50 = 0.102 μM HELA, IC50 = 0.152 μM M468, IC50 = 0.100 μM MCF7). Structure activity relationship of synthesized analogs suggested that the attachment of electron withdrawing groups like chloro at R2 position and acetyl group at R1 gave better cytotoxic activity. Activity by hydrogen and acetyl substitution at R1 position linked with N-substituted 2,4-thiazolidinedione scaffold gave better activity in the order of H > CH2COOH. These findings may impart new direction to medicinal chemists and biochemists for further investigations of 2,4-thiazolidinedione containing cytotoxic agents. In the experiment, the researchers used many compounds, for example, Methyl 3-bromopropanoate(cas: 3395-91-3Recommanded Product: 3395-91-3)

Methyl 3-bromopropanoate(cas: 3395-91-3) 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: 3395-91-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Convergent charge interval spacing of zwitterionic 4-vinylpyridine carboxybetaine structures for superior blood-inert regulation in amphiphilic phases》 was written by Chiu, Chieh-Yang; Chang, Yung; Liu, Tzu-Hao; Chou, Ying-Nien; Yen, Ta-Jen. Quality Control of 4-Bromobutanoic acidThis research focused onzwitterionic vinylpyridine carboxybetaine blood regulation amphiphilic phase. The article conveys some information:

Antifouling materials are indispensable in the biomedical field, but their high hydrophilicity and surface free energy provoke contamination on surfaces under atm. conditions, thus limiting their applicability in medical devices. This study proposes a new zwitterionic structure, 4-vinylpyridine carboxybetaine (4VPCB), that results in lower surface free energy and increases biol. inertness. In the design of 4VPCB, one to three carbon atoms are inserted between the pos. charge and neg. charge (carbon space length, CSL) of the pyridyl-containing side chain to adjust hydration with water mols. The pyridine in the 4VPCB structure provides the hydrophobicity of the zwitterionic functional group, and thus it can have a lower free energy in the gas phase but maintain higher hydrophilicity in the liquid phase environment. Surface plasmon resonance and confocal microscopy were used to analyze the antiprotein adsorption and anti-blood cell adhesion properties of the P4VPCB brush surface. The results showed that the CSL in the P4VPCB structure affected the biol. inertness of the surface. The protein adsorption on the surface of P4VPCB2 (CSL= 2) is lower than that on the surfaces of P4VPCB1 (CSL = 1) and P4VPCB3 (CSL = 3), and the optimal resistance to protein adsorption can be reduced to 7.5 ng cm-2. The surface of P4VPCB2 can also exhibit excellent blood-inert function in the adhesion test with various human blood cells, offering a potential possibility for the future design of a new generation of blood-inert medical materials. In the experiment, the researchers used many compounds, for example, 4-Bromobutanoic acid(cas: 2623-87-2Quality Control of 4-Bromobutanoic acid)

4-Bromobutanoic acid(cas: 2623-87-2) belongs to carboxylic acids. The chief chemical characteristic of the carboxylic acids is their acidity. They are generally more acidic than other organic compounds containing hydroxyl groups but are generally weaker than the familiar mineral acids (e.g., hydrochloric acid, HCl, sulfuric acid, H2SO4, etc.).Quality Control of 4-Bromobutanoic acid

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2019,Acta Crystallographica, Section E: Crystallographic Communications included an article by Anitha, Azhagan Ganapathi; Arunagiri, Chidambaram; Subashini, Annamalai. Category: bromides-buliding-blocks. The article was titled 《Synthesis, X-ray crystal structure, Hirshfeld surface analysis and DFT studies of (E)-N’-(2-bromobenzylidene)-4-methylbenzohydrazide》. The information in the text is summarized as follows:

The title mol., C15H13BrN2O, displays a trans configuration with respect to the C=N double bond. The dihedral angle between the bromo- and methyl-substituted benzene rings is 16.1 (3)°. In the crystal, mols. are connected by N-H·-O and weak C-H-O hydrogen bonds, forming R21(6) ring motifs and generating chains along the a-axis direction. The optimized structure generated theor. via d. functional theory (DFT) using standard B3LYP functional and 6-311 G(d,p) basis-set calculations renders good support to the exptl. data. The HOMO-LUMO behavior was elucidated to determine the energy gap. The intermol. interactions were quantified and analyzed using Hirshfeld surface anal. In the experimental materials used by the author, we found o-Bromobenzaldehyde(cas: 6630-33-7Category: bromides-buliding-blocks)

o-Bromobenzaldehyde(cas: 6630-33-7) is used in L-threonine aldolase-catalyzed enantio/diastereoselective aldol reactions.Category: bromides-buliding-blocksSynthetic applications of o-Bromobenzaldehyde include: synthesis of aza-fused polycyclic quinolines through copper-catalyzed cascade reaction, preparation of 1-substituted indazoles by CuI-catalyzed coupling with N-aryl hydrazides.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Melanin-dot-mediated delivery of metallacycle for NIR-II/photoacoustic dual-modal imaging-guided chemo-photothermal synergistic therapy》 were Sun, Yue; Ding, Feng; Chen, Zhao; Zhang, Ruiping; Li, Chonglu; Xu, Yuling; Zhang, Yi; Ni, Ruidong; Li, Xiaopeng; Yang, Guangfu; Sun, Yao; Stang, Peter J.. And the article was published in Proceedings of the National Academy of Sciences of the United States of America in 2019. SDS of cas: 3395-91-3 The author mentioned the following in the article:

Discrete Pt(II) metallacycles have potential applications in biomedicine. Herein, we engineered a dual-modal imaging and chemo-photothermal therapeutic nano-agent 1 that incorporates discrete Pt(II) metallacycle 2 and fluorescent dye 3 (emission wavelength in the second near-IR channel [NIR-II]) into multifunctional melanin dots with photoacoustic signal and photothermal features. Nano-agent 1 has a good solubility, biocompatibility, and stability in vivo. Both photoacoustic imaging and NIR-II imaging in vivo confirmed that 1 can effectively accumulate at tumor sites with good signal-to-background ratio and favorable distribution. Guided by precise dual-modal imaging, nano-agent 1 exhibits a superior antitumor performance and less severe side effects compared with a single treatment because of the high efficiency of the chemo-photothermal synergistic therapy. This study shows that nano-agent 1 provides a promising multifunctional theranostic platform for potential applications in biomedicine. In the experimental materials used by the author, we found Methyl 3-bromopropanoate(cas: 3395-91-3SDS of cas: 3395-91-3)

Methyl 3-bromopropanoate(cas: 3395-91-3) 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.SDS of cas: 3395-91-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Highly Regioselective Preparation and Characterization of New 6-O-Substituted Dieckol Derivatives》 was published in Journal of Industrial and Engineering Chemistry (Amsterdam, Netherlands) in 2020. These research results belong to Kim, Yongkyun; Shin, Jooseok; Kang, Su Min; Song, Jinyoung; Shin, Hyeon-Cheol; Keum, Young-Sam; Hwang, Hye Jeong; Park, Kwangyong. Recommanded Product: Ethyl 4-bromobutyrate The article mentions the following:

Dieckol is a brown algae-derived polyphenol that has broad bioactivity and low toxicity. Therefore, it is a promising lead compound for the development of therapeutic agents to treat various pathol. conditions, including viral infections, allergies, diabetes, skin ageing, cancers, and neurodegenerative conditions. To exploit the pharmacol. potential of dieckol, its stability, solubility, pharmacokinetics, and drug delivery must be improved. This can be achieved by the controlled modification of the hydroxyl groups, but the presence of eleven nearly equivalent hydroxyl groups makes the task highly challenging. In this study, the regioselectivities in five substitution reactions of the hydroxyl groups of dieckol under various SN2 reaction conditions were investigated. After reaction optimization, five substituents (Me, benzyl, methoxymethyl, 3-hydroxypropyl, and 3-(ethoxycarbonyl)propyl) could be introduced at the 6-Oposition of dieckol with surprisingly high regioselectivity, as confirmed by 2D-NMR spectroscopic analyses. The prepared dieckol derivatives showed antioxidant and anticancer activities analogous to those of unmodified dieckol, indicating that the mono-O-substitutions did not affect the biochem. and biol. characteristics of dieckol. Therefore, the proposed methodol. for the mono-O-substitution of a specific oxygen of dieckol is a powerful tool to add various pharmaceutical attributes to dieckol, thus contributing to the development of various dieckol-based drug candidates. In addition to this study using Ethyl 4-bromobutyrate, there are many other studies that have used Ethyl 4-bromobutyrate(cas: 2969-81-5Recommanded Product: Ethyl 4-bromobutyrate) was used in this study.

Ethyl 4-bromobutyrate(cas: 2969-81-5) belongs to bromides. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents.Recommanded Product: Ethyl 4-bromobutyrate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary