Tag: M.W=200-250

Schmidt, Jurema; Rotter, Marco; Weiser, Tim; Wittmann, Sandra; Weizel, Lilia; Kaiser, Astrid; Heering, Jan; Goebel, Tamara; Angioni, Carlo; Wurglics, Mario; Paulke, Alexander; Geisslinger, Gerd; Kahnt, Astrid; Steinhilber, Dieter; Proschak, Ewgenij; Merk, Daniel published the artcile< A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis>, COA of Formula: C9H8BrFO2, the main research area is benzylbenzamide dual modulator analog preparation nonalcoholic steatohepatitis; dual modulator analog FXR sEH benzylbenzamide analog pharmacokinetics.

Nonalcoholic steatohepatitis arising from Western diet and lifestyle is characterized by accumulation of fat in liver causing inflammation and fibrosis. It evolves as serious health burden with alarming incidence, but there is no satisfying pharmacol. therapy to date. Considering the disease’s multifactorial nature, modulation of multiple targets might provide superior therapeutic efficacy. In particular, farnesoid X receptor (FXR) activation that revealed antisteatotic and antifibrotic effects in clin. trials combined with inhibition of soluble epoxide hydrolase (sEH) as anti-inflammatory strategy promises synergies. To exploit this dual concept, we developed agents exerting partial FXR agonism and sEH inhibitory activity. Merging known pharmacophores and systematic exploration of the structure-activity relationship on both targets produced dual modulators with low nanomolar potency. Extensive in vitro characterization confirmed high dual efficacy in cellular context combined with low toxicity, and pilot in vivo data revealed favorable pharmacokinetics as well as engagement on both targets in vivo.

Journal of Medicinal Chemistry published new progress about Antifibrotic agents. 85070-57-1 belongs to class bromides-buliding-blocks, and the molecular formula is C9H8BrFO2, COA of Formula: C9H8BrFO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Aliboni, Eraldo published the artcile< Vitamin C in human saliva>, Related Products of 82-73-5, the main research area is .

By the method of Farmer and Abt (C.A. 30, 8273.5) the vitamin C content of human saliva (50 cases) was 12-50 (average 23) γ per 100 cc., no remarkable differences being found between men and women, or normal and pathol. subjects.

Clin. odontoiat. published new progress about Saliva. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Related Products of 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Schuisky, Peter; Federsel, Hans-Jurgen; Tian, Wei published the artcile< Regioisomerism in the Synthesis of a Chiral Aminotetralin Drug Compound: Unraveling Mechanistic Details and Diastereomer-Specific In-Depth NMR Investigations>, Recommanded Product: 2-(4-Bromo-3-methylphenyl)acetic acid, the main research area is regioisomerism synthesis chiral aminotetralin drug ARA2 unraveling mechanism.

During chem. process development of a novel 2-aminotetralin derivative(I) intended for use as an antidepressant, scrutiny of the byproduct present in the drug mol. revealed a set of regioisomers. Detailed studies showed that this impurity issue originated from an early synthetic step in which a brominated tetralone motif was generated in a ring-closing protocol. It was found that this reaction was accompanied by a migration of the aromatic bromo substituent via different bromonium species along two discrete pathways. This example of the halogen dance reaction resulted in the formation of a series of tetralone impurities with a bromine distributed across all available aromatic positions of the tetralin nucleus. Subsequently, when subjected to reductive amination conditions, each of these tetralones gave rise to pairs of aminotetralins in a diastereomeric relationship. NMR investigations revealed that the alicyclic portion of the compounds thus formed displayed very complex signal patterns, which required further in-depth studies using a variety of sophisticated techniques. As a result, a deep insight into the structural features of the current 2-aminotetralin family was obtained, which is emphasized by the definition of a novel “”0.2 ppm rule”” allowing the absolute configuration at tetralin C-2 to be determined

Journal of Organic Chemistry published new progress about Absolute configuration. 215949-57-8 belongs to class bromides-buliding-blocks, and the molecular formula is C9H9BrO2, Recommanded Product: 2-(4-Bromo-3-methylphenyl)acetic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Slack, Eric D.; Colacot, Thomas J. published the artcile< Understanding the Activation of Air-Stable Ir(COD)(Phen)Cl Precatalyst for C-H Borylation of Aromatics and Heteroaromatics>, Synthetic Route of 401-78-5, the main research area is iridium complex catalyzed carbon hydrogen bond borylation aromatic heteroaromatic; borane aromatic heteroaromatic derivative preparation.

A newly developed robust catalyst [Ir(COD)(Phen)Cl] (A) was used for the C-H borylation of three dozen aromatics and heteroaromatics with excellent yield and selectivity. Activation of the catalyst was identified using catalytic amounts of H2O, alcs., etc., when B2pin2 was used in noncoordinating solvents, while for THF catalytic use of HBpin was required. The results were on par with the in situ based expensive system [Ir(OMe)(COD)]2/dtbbpy or Me4Phen.

Organic Letters published new progress about Aromatic compounds Role: RCT (Reactant), RACT (Reactant or Reagent). 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Synthetic Route of 401-78-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Doerner, Bernd; Kuntner, Claudia; Bankstahl, Jens P.; Wanek, Thomas; Bankstahl, Marion; Stanek, Johann; Muellauer, Julia; Bauer, Florian; Mairinger, Severin; Loescher, Wolfgang; Miller, Donald W.; Chiba, Peter; Mueller, Markus; Erker, Thomas; Langer, Oliver published the artcile< Radiosynthesis and in vivo evaluation of 1-[18F]fluoroelacridar as a positron emission tomography tracer for P-glycoprotein and breast cancer resistance protein>, COA of Formula: C7H4BrNO4, the main research area is fluorine 18 elacridar preparation PET tumor imaging Pgp BCRP.

Aim of this study was to label the potent dual P-glycoprotein (Pgp) and breast cancer resistance protein (BCRP) inhibitor elacridar (1) with 18F to provide a positron emission tomog. (PET) radiotracer to visualize Pgp and BCRP. A series of new 1- and 2-halogen- and nitro-substituted derivatives of 1 (4a-e) was synthesized as precursor mols. and reference compounds for radiolabelling and shown to display comparable in vitro potency to 1 in increasing rhodamine 123 accumulation in a cell line overexpressing human Pgp (MDCKII-MDR1). 1-[18F]fluoroelacridar ([18F]4b) was synthesized in a decay-corrected radiochem. yield of 1.7 ± 0.9% by a 1-step no-carrier added nucleophilic aromatic 18F-substitution of 1-nitro precursor 4c. Small-animal PET imaging of [18F]4b was performed in naive rats, before and after administration of unlabeled 1 (5 mg/kg, n = 3), as well as in wild-type and Mdr1a/b (-/-) Bcrp1 (-/-) mice (n = 3). In PET experiments in rats, administration of unlabeled 1 increased brain activity uptake by a factor of 9.5 (p = 0.0002, 2-tailed Student’s t-test), whereas blood activity levels remained unchanged. In Mdr1a/b (-/-) Bcrp1 (-/-) mice, the mean brain-to-blood ratio of activity at 60 min after tracer injection was 7.6 times higher as compared to wild-type animals (p = 0.0002). HPLC anal. of rat brain tissue extracts collected at 40 min after injection of [18F]4b revealed that 93 ± 7% of total radioactivity in brain was in the form of unchanged [18F]4b. In conclusion, the in vivo behavior of [18F]4b was found to be similar to previously described [11C]1 suggesting transport of [18F]4b by Pgp and/or BCRP at the rodent BBB. However, low radiochem. yields and a significant degree of in vivo defluorination will limit the utility of [18F]4b as a PET tracer.

Bioorganic & Medicinal Chemistry published new progress about Animal gene, MDR1 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, COA of Formula: C7H4BrNO4.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Cao, Feng-Xia; Zhao, Li-Ming published the artcile< Cyclization of 1,4-dihydroxyanthraquinone with α,β-unsaturated aldehyde: a new strategy for the synthesis of cyclopentanoids>, Category: bromides-buliding-blocks, the main research area is cyclopentanoid preparation dihydroxyanthraquinone cyclization alpha beta unsaturated aldehyde.

A cascade cyclization strategy was developed for the synthesis of cyclopentane-fused anthraquinones through the condensation of 1,4-dihydroxyanthraquinone with α,β-unsaturated aldehydes in the presence of common inorganic base NaOH. These fused-tetracyclic anthraquinone products are formed in a single step from readily accessible starting materials under very mild conditions without the use of any expensive or complex reagents. This method represents an unprecedented example of a base-promoted protocol to access five-membered carbocyclic rings in a single step. Moreover, this chem. also provides useful guidance for the preparation of 6,5-fused ring systems.

Tetrahedron Letters published new progress about Crystal structure. 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Mondal, B.; Bendikov, M.; Kanti Roy, U. published the artcile< Oligoselenophenes (n and p Type): Synthesis and Properties>, Category: bromides-buliding-blocks, the main research area is oligoselenophene preparation semiconductor thermal property.

An array of semiconducting oligoselenophenes (n and p types), up to hexamer units, e.g., I were synthesized by the double Stille coupling methods using tetrakis(triphenylphosphine)palladium(0) as a catalyst. A series of semiconducting oligomers (n and p types) containing mixed hetero-units (hexamers of thiophene and selenophene), e.g., II were also synthesized using the Stille coupling reaction. Their thermal properties were systematically studied and compared with those of π-conjugated thiophene based oligomers using DSC and TGA. The field-effect mobility of synthesized n and p type oligomers was analyzed.

Russian Journal of General Chemistry published new progress about Selenides Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (cyclic). 3480-11-3 belongs to class bromides-buliding-blocks, and the molecular formula is C8H5BrS2, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Matsui, Y; Figi, A; Horikawa, M; Jahangiri Noudeh, Y; Tomozawa, Y; Hashimoto, K; Kaufman, J A; Farsad, K published the artcile< Erratum to ""Arteriopathy after transarterial chemo-lipiodolization for hepatocellular carcinoma"" [Diagn. Interv. Imaging 98 (12) (2017) 827-35].>, Name: 4-Bromoisobenzofuran-1,3-dione, the main research area is .

There is no abstract available for this document.

Diagnostic and interventional imaging published new progress about 82-73-5. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Name: 4-Bromoisobenzofuran-1,3-dione.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Song, Jing-Ru; Li, Na; Li, Dian-Peng published the artcile< Synthesis and anti-proliferation activity of Mogrol derivatives bearing quinoline and triazole moieties>, Related Products of 29124-57-0, the main research area is Mogrol quinolinyl triazolyl synthesis antitumor agent; Lung cancer; Mogrol; Quinoline; Structural modification; Triazole.

A series of novel derivatives based on Mogrol were designed and synthesized in attempt to improve anti-lung cancer activity. The cytotoxicity against human lung cancer cells including A549 and NCI-H460 were performed by Cell Counting Kit-8 (CCK8) assay in vitro. The screening result showed that compound 8f exhibited the strongest activity with an IC50 value of 4.47μM against A549 cell, and could induce the cell apoptosis in a dose-dependent manner and arrest cell cycle at G0/G1 phase. Besides, compound 8f displayed anti-proliferation effect on A549 cell through inhibiting phosphorylation of signal transducer and activator of transcription 3 (STAT3). Furthermore, compared with Mogrol, compound 10a significantly improved the cytotoxicity against NCI-H460 with the IC50 value of 17.13μM. The research stimulated the development of potential therapeutic agent for lung cancer from the natural Mogrol.

Bioorganic & Medicinal Chemistry Letters published new progress about Antitumor agents. 29124-57-0 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO, Related Products of 29124-57-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Han, Liuqing; Li, Ke; Xu, Haitong; Mei, Tao; Sun, Yali; Qu, Jingping; Song, Yuming published the artcile< N-TFA-Gly-Bt-Based Stereoselective Synthesis of Substituted 3-Amino Tetrahydro-2H-pyran-2-ones via an Organocatalyzed Cascade Process>, COA of Formula: C9H7BrO, the main research area is organocatalyst cascade unsaturated aldehyde trifluoroacetamidoacetylbenzotriazole; stereoselective synthesis aminotetrahydropyranone.

Chiral-substituted 3-amino tetrahydro-2H-pyran-2-ones were prepared in excellent enantioselectivities (up to 99% ee) via an organo-catalyzed cascade procedure with N-TFA-Gly-Bt and α,β-unsaturated aldehydes as the substrates. The corresponding tetrahydro-2H-pyran-2-ones can be used for further synthetic transformations that furnish chiral-substituted 3-aminopiperidin-2-ones with high levels of stereoselectivity.

Journal of Organic Chemistry published new progress about Diastereoselective synthesis. 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, COA of Formula: C9H7BrO.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary