Month: October 2022

Ribeiro, Rita de Cassia Lima; Botelho, Emerson Luiz Lorenco; Donadel, Guilherme; Ames, Maria Leticia; Nunes, Bruna; Tramontini, Salviano; Soares, Andreia Assuncao; Alberton, Odair; Jacomassi, Ezilda; Gasparotto, Arquimedes Junior published the artcile< Genotoxicity Study of Vitex megapotamica (Spreng.) Moldenke>, Application of C7H17Cl2N2O3P, the main research area is genotoxicity edible fruit plant Vitex megapotamica; Lamiaceae; comet test; micronucleus; safety; toxicity.

Vitex megapotamica (Spreng) Moldenke is commonly known as taruma, ∼ it is an important medicinal and edible fruit plant. It is native to regions of tropical and subtropical climate in greater proportion than temperate zones and widely distributed in Central America, South America, Asia, and Africa. In Brazil, it is present in the Atlantic Forest and Cerrado biomes. Despite its widespread use, there are no min. standards for quality control or information on genotoxicity. Therefore, the aim of this study was to present a detailed description of the short-term genotoxicity assays of V. megapotamica and to provide parameters of a preparation routinely used in traditional folk medicine. For genotoxicity assays, five groups were used with eight wistar rats in each group. For this, three doses of the V. megapotamica extract in doses (100, 300, and 900 mg/kg) or neg. control (filtered water) were administered orally and pos. control cyclophosphamide monohydrate (20 mg/kg; Sigma-Aldrich) was applied by the i.p. route after 24 h. At the end, whole blood was collected in a tube containing EDTA for the comet test and later the animals were euthanized. For the micronucleus test, femurs were removed, and bone marrow was collected. In the comet assay, V. megapotamica crude extract did not show significant DNA damage at all doses tested. The micronucleus assay showed no significant increase in the frequency of inducing micronuclei at any dose examined It can be concluded that the safety parameters in genotoxicity studies reveal that V. megapotamica has no toxicity, which characterizes the important quality control of this plant species.

Journal of Medicinal Food published new progress about Blood. 6055-19-2 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H17Cl2N2O3P, Application of C7H17Cl2N2O3P.

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

Yang, DaEun; Jin, Chowon; Kang, Hyo published the artcile< Vertical Alignment of Liquid Crystal on Sustainable 2,4-Di-tert-butylphenoxymethyl-Substituted Polystyrene Films>, Related Products of 1592-20-7, the main research area is butylphenoxymethyl substituted polystyrene film liquid crystal; 2,4-di-tert-butylphenol; liquid crystal; orientation layer; polystyrene; vertical.

We synthesized sustainable 2,4-di-tert-butylphenoxymethyl-substituted polystyrenes (PDtBP#, # = 88, 68, 35, and 19, where # is molar percent contents of 2,4-di-tert-butylphenoxymethyl moiety), using post-polymerization modification reactions in order to study their liquid crystal (LC) alignment behaviors. In general, LC cells fabricated using polymer film with higher molar content of 2,4-di-tert-butylphenoxymethyl side groups showed vertical LC alignment behavior. LC alignment behavior in LC cell was related to the surface energy of the polymer alignment layer. For example, when the total surface energy value of the polymer layer was smaller than about 29.4 mJ/m2, vertical alignment behaviors were observed, generated by the nonpolar 2,4-di-tert-butylphenoxymethyl moiety with long and bulky carbon groups. Orientation stability was observed at 200°C in the LC cells fabricated using PDtBP88 as the LC alignment layer. Therefore, as a natural compound modified polymer, PDtBP# can be used as a candidate LC alignment layer for environmentally friendly applications.

Polymers (Basel, Switzerland) published new progress about Contact angle. 1592-20-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H9Cl, Related Products of 1592-20-7.

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

Tseng, Wei-Ting; Shih, Tsung-Wei; Liu, Shing-Hwa; Pan, Tzu-Ming published the artcile< Safety and mutagenicity evaluation of Vigiis 101 powder made from Lactobacillus paracasei subsp. paracasei NTU 101>, Application In Synthesis of 6055-19-2, the main research area is Lactobacillus Vigiis 101 powder safety mutagenicity; Lactobacillus paracasei subsp. paracasei NTU 101; No observed adverse effect level; Probiotic.

The aim of the present work was to assess the genotoxic activity and the potential for toxicity upon repeated dosing of “”Vigiis 101″” powder, a probiotic consisting of dried bacteria Lactobacillus paracasei subsp. paracasei NTU 101. Results of the Ames test in Salmonella typhimurium strains TA1537, TA98, TA100, TA102, and TA1535 showed that Vigiis 101 (≤5 mg per plate) was not mutagenic. We used experiments on ICR mice to evaluate the genotoxicity of Vigiis 101. Compared to the control, high-dose Vigiis 101 administration (16.72 g per kg of body weight) did not cause significant changes either in the number of reticulocytes or in the percentage (occurrence) of micronucleated reticulocytes. A mammalian chromosomal aberration test showed that the number of Chinese hamster ovary cells with abnormal chromosomes was <4% after Vigiis 101 treatment (maximal concentration was 5 mg/mL). A 28-day oral toxicity assay in Wistar rats was performed to assess the no-observed-adverse-effect level of Vigiis 101. Compared to the control, high-dose Vigiis 101 administration (5000 mg/kg/day) had no effects on mortality and body weight and did not cause toxicopathol. lesions. Taken together, these results show that Vigiis 101 has no significant mutagenic or toxic effects. Regulatory Toxicology and Pharmacology published new progress about Adrenal gland. 6055-19-2 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H17Cl2N2O3P, Application In Synthesis of 6055-19-2.

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

Andronati, Serhiy A.; Pavlovsky, Viktor I.; Golovenko, Mykola Ya.; Reder, Anatoliy S.; Larionov, Vitalii B.; Valivodz’., Irina P. published the artcile< Synthesis and extraction efficiency from biological fluids of [214C]Propoxazepam: a potent analgesic with multifunctional mechanism of action>, HPLC of Formula: 128-09-6, the main research area is synthesis extraction biol fluid propoxazepam analgesic pharmacokinetic study.

A method has been developed for the synthesis of isotopically labeled 7-bromo-5-(2-chlorophenyl)-3-propoxy-1H-benzo[e][1,4]diazepin- 2(3H)-one (Propoxazepam) in a six-step synthesis starting from [1 14C]Glycine with the 30% yield. [214C]Propoxazepam was isolated with a specific activity of 2,68 μ Ci/mol, a chem. purity of 99.0%, and a radiochem. purity of 89.8%. In the model experiments there were rationed the quantity of sequential extractions and extragents volumes ratio to provide 90%, 95% or 99% of significance level extraction The estimated anal. characteristics of the method (coefficient of variation ωs = 3,33%, relative error ε = 9,53%) make it possible for use in pharmacokinetic studies in animals.

Journal of Chemical, Biological and Physical Sciences published new progress about Analgesics. 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, HPLC of Formula: 128-09-6.

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

Huang, Xiao-hua; Huang, Wei; Zhou, Yong-feng; Yan, De-yue published the artcile< Synthesis and characterization of highly soluble aromatic polyimides>, Formula: C8H3ClO3, the main research area is heat resistant soluble aromatic polyimide polythioether polysulfone.

Two highly soluble aromatic polyimides were prepared from 4,4′-diamino-3,3′-di-tert-butyldiphenylmethane (MBTBA) and 3,3′,4,4′-diphenyl sulfide tetracarboxylic dianhydride (DTDA) or 3,3′,4,4′-diphenyl sulfone tetracarboxylic dianhydride (DSDA). Both polymers showed excellent solubility in common solvents, such as chloroform, THF and dioxane, at room temperature The number-average mol. weight was 6.0 × 104 and 8.3 × 104 according to gel permeation chromatog. relative to polystyrene standards, and the polydispersity index was 1.80 and 1.82, resp. The glass-transition temperatures were 286° and 314° (or 315° and 358°) as measured by differential scanning calorimetry (or dynamic mech. anal.). The 5% weight loss temperature of both polymers was near 490° in N2 atm. as determined using thermogravimetric anal. The results indicated that the tert-Bu pendent groups reduced the interactions among the polymer chains, and the thioether or sulfone moiety provided flexibility, thus improving the solubility in organic solvents without the loss of thermal stability. Transparent and flexible films of the polyimides were obtained via solution casting. The MBTBA-DTDA membrane had higher storage modulus than the MBTBA-DSDA membrane.

Chinese Journal of Polymer Science published new progress about Complex modulus, tan δ. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Formula: C8H3ClO3.

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

Li, Pei; Yin, Juan; Xu, Weiming; Wu, Jian; He, Ming; Hu, Deyu; Yang, Song; Song, Baoan published the artcile< Synthesis, Antibacterial Activities, and 3D-QSAR of Sulfone Derivatives Containing 1, 3, 4-Oxadiazole Moiety>, Computed Properties of 2905-54-6, the main research area is oxadiazole sulfone preparation antibacterial activity QSAR; 3D-QSAR; CoMFA; CoMSIA; antibacterial activities; sulfone derivatives; synthesis.

A series of sulfone derivatives containing 1, 3, 4-oxadiazole moiety were prepared and evaluated for their antibacterial activities by the turbidimeter test. Most compounds inhibited growth of Ralstonia solanacearum (R. solanacearum) from tomato and tobacco bacterial wilt with high potency, among which compounds I [X = H, F] exhibited the most potent inhibition against R. solanacearum from tomato and tobacco bacterial wilts with EC50 values of 19.77 and 8.29 μg/mL, resp. Our results also demonstrated that I [X = H, F] and a number of other compounds were more potent than com. bactericides Kocide 3000 and Thiodiazole Copper, which inhibited R. solanacearum from tomato bacterial wilt with EC50 values of 93.59 and 99.80 μg/mL and tobacco bacterial wilt with EC50 values of 45.91 and 216.70 μg/mL, resp. The structure-activity relationship (SAR) of compounds was studied using three-dimensional quant. structure-activity relationship (3D-QSAR) models created by comparative mol. field anal. (CoMFA) and comparative mol. similarity index anal. (CoMSIA) based on compound bioactivities against tomato and tobacco bacterial wilts. The 3D-QSAR models effectively predicted the correlation between inhibitory activity and steric-electrostatic properties of compounds

Chemical Biology & Drug Design published new progress about Agrochemicals. 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, Computed Properties of 2905-54-6.

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

Wu, Tian-bang; Xiang, Qiu-ping; Wang, Chao; Wu, Chun; Zhang, Cheng; Zhang, Mao-feng; Liu, Zhao-xuan; Zhang, Yan; Xiao, Lin-jiu; Xu, Yong published the artcile< Y06014 is a selective BET inhibitor for the treatment of prostate cancer>, Formula: C7H6Cl2O3S, the main research area is dimethylisoxazolyl benzoindolone preparation BET inhibitor SAR antitumor human docking; BRD4; Y06014; androgen receptor; bromodomain inhibitor; prostate cancer.

The design, synthesis and a structure-activity relationship study of 6-(3,5-dimethylisoxazol-4-yl)benzo[cd]indol-2(1H)-one derivative I [R = Et, PhSO2, PhCH2CH2CH2, etc.] as novel selective BET inhibitors was reported. One representative compound, compound I [R = Et], bound to BRD4(1) in the low micromolar range and demonstrated high selectivity for BRD4(1) over other non-BET bromodomain-containing proteins. This mol. also potently inhibited cell growth, colony formation and mRNA expression of AR-regulated genes in PC cell lines. The compound I [R = Et] also showed stronger activity than the second-generation antiandrogen enzalutamide. The compound I [R = Et] might serve as a new small mol. probe for further validation of BET as a mol. target for PC drug development.

Acta Pharmacologica Sinica published new progress about Antitumor agents. 22952-32-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2O3S, Formula: C7H6Cl2O3S.

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

Zhang, Mengmeng; Yang, Liming; Yang, Hui; An, Guanghui; Li, Guangming published the artcile< Visible Light Mediated C(sp3)-H Alkenylation of Cyclic Ethers Enabled by Aryl Ketone>, Related Products of 5153-70-8, the main research area is alkenyl ether diastereoselective preparation; ether nitroalkene visible light mediated alkenylation pentacenetetrone photocatalyst.

C-H Alkenylation of cyclic ethers (THF, 1,4-dioxane) using the readily available nitroalkenes as the alkenylating reagents which gave α-alkenyl ethers Ar(CH:CH)nR [Ar = Ph, 2-naphthyl, 2-thienyl, etc.; R = 1,2-dimethoxyethane, tetrahydrofuran-2-yl, 1,4-dioxan-2-yl] with high E-selectivity was developed. The mechanism study revealed that alkenylation proceeded through a proton coupled electron transfer (PCET) process with a de-nitration.

ChemCatChem published new progress about Alkenes, nitro Role: RCT (Reactant), RACT (Reactant or Reagent). 5153-70-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6ClNO2, Related Products of 5153-70-8.

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

Steinkopf, Wilhelm; Kohler, Werner published the artcile< Thiophene series. XXXVIII. Chlorine derivatives of thiophene and the limited usefulness of mixed melting points with the isomeric thiophene derivatives>, Application In Synthesis of 31166-29-7, the main research area is .

The fraction of 2-chlorothiophene (I) b. 130-6° yields a chloromercuri derivative (II), m. 223-4°; distillation with 10% HCl gives 86% of pure I, b. 127-8.3° (corrected), m. -70° to -69°, nD19 1.55058. II and I in KI give 67% of 5-chloro-2-iodothiophene, b14 95-6°, m. -25° to -24° (corrected). Refluxing I with yellow HgO in AcOH for 4 h. gives the 3,4,5-tri(acetoxymercuri) complex, transformed by NaCl into the corresponding Cl derivative and this in turn by I in KI into 80% of 2-chloro-3,4,5-triiodothiophene m. 126°; this also results by the action of I upon I in the presence of Hg(OAc)2. I and Br give 80-5% of the 3,4,5-tri-Br derivative, m. 91°. With ClSO3H at -10°, 8 g. I yields 2.4 g. of the 5-sulfonyl chloride, m. 28°. I is separated from III by means of the II derivative, since III does not react with HgCl2. 2,5-Dichlorothiophene (III), b. 161-2°, m. -43.4° (corrected), nD19 1.56077, is purified through the 3,4-bis(chloromercuri) derivative (IV), m. 314-15° (prepared with HgO in AcOH, followed by NaCl). IV and I-KI give the 3,4-di-I derivative (V), m. 83°, and, as an Et2O-insoluble fraction, 2,5,2′,5′-tetrachloro-3,3′-diiodo-4,4′-mercurydithienyl, m. 238°. III and Br give 80% of the 3,4-di-Br derivative, m. 65°. I and AcCl in petr. ether with AlCl3 give 16% of 2,5-dichloro-3-acetothienone, m. 39°. VI, transformed into the Grignard reagent with EtMgBr and reacted with CO2, gives a very small yield of 2,5-dichlorothiophene-3,4-dicarboxylic acid, sublimes about 200°; melting with m-C6H4(OH)2 and ZnCl2 gives a strong green fluorescence. The trichlorothiophene fraction, b. 203-7°, with HgO in AcOH, yields 80% of 2,3,5,2′,3′,5′ -hexachloro-4,4′-mercurydithienyl (VII), m. 242-3°, which has a pale violet color in UV light. VII and HgCl2 in Me2CO yield 89% of 2,3,5-trichloro-4-chloromercurithiophene, m. 211-12°; heating with HCl gives 77% of 2,3,5-trichlorothiophene (VIII), b. 207.7-9.2° (corrected), m. -3.5°, nD19.3 1.58515. The 4-bromomercuric derivative of VIII m. 207° (quant. yield from VII) and has a pale blue-violet color in UV light. VIII gives 90% of the 4-Br derivative, m. 50.5-1.5°, and a quant. yield of the 4-I derivative, m. 51°; both are soluble in 33% oleum with a deep bluish green color. Crude VIII and AcCl with AlCl3 in petr. ether yield 6.5% of 2,3,5 trichloro-4-acetothiophene, m. 80°. VIII and HNO3 in concentrated H2SO4 give the 4-NO2 derivative, m. 70°. Chlorination of 2,5-dibromo-3-iodo-4-thiophenic acid in AcOH yields 2,3,5-trichloro-4-thiophenic acid, m. 176-7°. The 4-sulfonyl chloride of VIII m. 57-8°. The action of EtMgBr upon tetrachlorothiophene gives 2,3,4-trichlorothiophene (IX), b. 209.2-10.2° (corrected), m. -0.5°, nD19.1 1.58588, purified through the 5-chloromercuri derivative (X), m. 211° (18% yield). With HgO in AcOH IX yields 50-5% 2,3,4,2′,3′,4′-hexachloro-5-mercurydithienyl, m. 242-3°, color in UV light bright violet; this also results from X and NaI in Me2CO; with HgBr2 there results a nearly quant. yield of the 5-bromomercuri derivative of IX, m. 207°. X, I and KI give a quant. yield of the 5-I derivative of IX, m. 50-1°, easily colored red by light; the 5-Br derivative, m. 50.5°, results from X and Br-H2O-KBr or from IX and Br2. IX and AcCl with AlCl3 give 59% of 2,3,4-trichloro-5-acetothienone, m. 80°, shows a bright yellow color in UV light. The 5-NO2 derivative of IX, pale yellow, m. 70°. The 5-sulfonyl chloride m. 55-6° (59% yield). 2,3-Dibromo-5-thiophenic acid and Cl2 in AcOH give 2,3-dichloro-5-thiophenic acid, m. 196-7°, sublimes at 120°; boiling with Hg(OAc)2 in AcOH for 3 h. gives 2,3-dichloro-4,5-bis(acetoxymercuri)thiophene (XI), which, transformed into the chloromercuri derivative (XIA), and distilled with HCl, gives 2,3-dichlorothiophene (XII), b. 173-4°, m. -26.2° (corrected), nD21 1.56650; 5-chloromercuri derivative, m. 269-70°; 5-I derivative, m. 27°; 5-Br derivative (XIII), b. 212-14°, m. 6°. 2,3-Dichloro-5-acetothienone, m. 68° (47% yield). XIII and HgO in AcOH, refluxed 5 h., the product treated with NaCl and then with NaI, give 2,3,2′,3′-tetrachloro-5,5′-dibromo-4,4′-mercurydithienyl, m. 238-9°. XII and HNO3 in Ac2O give 37% of the 5-NO2 derivative, pale yellow, m. 55-6°. The 5-sulfonyl chloride (XIV), pale yellow, m. 55-6° (81%). XI or XIA with KI-I gives the 4,5-di-I derivative of XII, m. 72°; XII and Br2 gives 88% of the 4,5-di-Br derivative, m. 67.5°. Heating XIV with a slight excess of 15% NaOH and reduction of the filtrate with 2.5% Na-Hg give 8.4% of 3-chlorothiophene (XV), b. 136-7° (corrected), m. -62°, nD22 1.55322; 2-chloromercuri derivative, m. 137-8°; 2,5-bis(chloromercuri) derivative, decomposes 275°. 3,3′-Dichloro-2,2′-mercurydithienyl, m. 174-5°. XII and EtMgBr, followed by CO2, give 2.8% of 3-chloro-2-thiophenic acid, m. 175-6°. Heating XV with Hg(OAc)2 in AcOH for a short time, then gradually adding I, gives 85% of 3-chloro-2,4,5-triiodothiophene, m. 121°; 2,4,5-triBr derivative, m. 91° (90% yield). The mother liquor from the preparation of XV appears to contain 4-chlorothiophene-2-sulfonic acid, for with PCl5 there results 10% of 2,4-dichlorothiophene, b. 174-5°, m. -34°, nD21.7 1.56866; 3,5-di-Br derivative, m. 72° (85%). Treating 2,5-thioxene with Cl in CCl4 and the residual oil reacted with Br2 give 60% of 3,4 – dichloro – 2,5 – bis(dibromomethyl)thiophene (XVI), m. 112°; in boiling CCl4 Cl2 gives the bis(dichloromethyl) analog, m. 80°. XVI and CaCO3 in H2O, heated 8 h., give 95% of 3,4-dichlorothiophene-2,5-dialdehyde, pale yellow, m. 194°; alk. H2O2 gives a small amount of 3,4-dichlorothiophene-2-aldehyde, with 0.5 mol. H2O, m. 72°, the principal product being the 2,5-dicarboxylic acid (XVII), m. 314-15° (decomposition). XVII, transformed into the 2,5-bis(acetoxymercuri) and then into the chloromercuri derivative and distilled with dilute HCl, yields 65% of 3,4-dichlorothiophene, b. 184.5-5.5°, m. 1°, nD19.6 1.58206; 2 -chloromercuri derivative, m. 206-7°; 2,5-bis(chloromercuri) derivative, m. 347-9°; 2,5-di-I derivative, m. 106°; 2,5-di-Br derivative, m. 75°. AcCl gives 88% of 3,4-dichloro-2-acetothienone, m. 56°. 3,4-Dichloro-2,5-bis(dibromomethyl)thiophene and Na2CO3 give a poor yield of 3,4-dichloro-2-hydroxymethylthiophene-5-carboxylic acid, m. 220-1°. 2,4,5-Tribromo-3-thiotolene and Cl2 in CCl4 give 3,4-dichloro-2,5-bis(dichloromethyl)thiophene, which yields with EtOH-KOH 2,4,5-trichloro-3-thiotolene, b23 115-16°, m. -18° (corrected), nD21.5 1.56617. 2,4,5-Triiodo-3-thiotolene and Cl2 in CHCl3 (with cooling), followed by EtOH-KOH, give 3-methyl-2,2,3,4,4,5,5-heptachlorotetrahydrothiophene, m. 217-18.5°. Exhaustive chlorination of thiophene or 2-thiophenic acid in AcOH gives 2,3,3,4,5(or 2,2,3,4,5)pentachloro-2,3-dihydrothiophene, b13 122-6°. 2,5-Thioxene and Br2 in CS2 give 85% of 3,4-dibromo-2,5-bis(dibromomethyl)thiophene, m. 132°; Cl2 gives a quant. yield of the dichloromethyl analog, m. 103°; CaCO3 in H2O gives 3,4-dibromothiophene-2,5-dialdehyde, pale yellow, m. 227°; aqueous KMnO4 gives 45% of the 2,5-dicarboxylic acid, m. 317-18°; long treatment with Cl2 in AcOH gives 49% of the acid. 2,3-Dibromo-5-thiophenic acid gives with Hg(OAc)2 in AcOH, followed by formation of the chloromercuri salt and distillation with dilute HCl, 2,3-dibromothiophene, b. 218.6-19.6°, m. -17.5°, nD22.8 1.63039. 2-Thiotolene and Br2-H2O give the tetra-Br derivative, m. 115-17°. The mixed m. ps. of isomeric thiophene derivatives are discussed and illustrated by several examples, showing that this method cannot be used to distinguish the higher halogenated derivatives Certain thiophene and selenophene derivatives have approx. the same m. ps. and mixed m. ps. The possibility of using luminescent anal. for distinguishing between these derivatives is also discussed.

Justus Liebigs Annalen der Chemie published new progress about Melting point. 31166-29-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C5H2Cl2O2S, Application In Synthesis of 31166-29-7.

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