Tag: M.W=200-250

Tan, Zhenda; Xiong, Biao; Yang, Jian; Ci, Chenggang; Jiang, Huanfeng; Zhang, Min published the artcile< Selective reductive cross-coupling of N-heteroarenes by an unsymmetrical PNP-ligated manganese catalyst>, HPLC of Formula: 320407-92-9, the main research area is tetrahydronaphthyridine preparation regioselective chemoselective; indole naphthyridine reductive cross coupling manganese catalyst; pyrrole naphthyridine reductive cross coupling manganese catalyst; heteroarene naphthyridine reductive cross coupling manganese catalyst.

Herein, by developing an unprecedented manganese catalyst ligating with an unsym. 2-aminotetrahydronaphthyridyl PNP-ligands e.g., I, a new reductive cross-coupling of indoles II (R = H, 5-MeO, 7-Me, 2,5-di-Me, etc.)/1H-pyrrole, 2,5-dimethyl-1H-pyrrole and N-heteroarenes III (R1 = H, 2,3-di-Me, 4-chlorophenyl, thiophen-2-yl, etc.; X = CH, N) was achieved. Mechanistic investigations show that the catalyst-enabled in situ capture of the partially reduced intermediates by interruption of the second transfer hydrogenation of N-heteroarenes constitutes the key to success for the present reaction. The developed chem. proceeds with good substrate and functional group compatibility, high step and atom efficiency, and excellent chemo and regioselectivity, and is applicable for late-stage modification of pyridine-containing biomedical mols., which has established a new platform allowing the linkage of aromatic systems into functional frameworks, and further development of unsym. PNP organometallic complexes and related catalytic transformations.

Journal of Catalysis published new progress about Aromatic nitrogen heterocycles Role: SPN (Synthetic Preparation), PREP (Preparation). 320407-92-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrClO, HPLC of Formula: 320407-92-9.

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

Spicer, Julie A.; Miller, Christian K.; O’Connor, Patrick D.; Jose, Jiney; Huttunen, Kristiina M.; Jaiswal, Jagdish K.; Denny, William A.; Akhlaghi, Hedieh; Browne, Kylie A.; Trapani, Joseph A. published the artcile< Substituted arylsulphonamides as inhibitors of perforin-mediated lysis>, Recommanded Product: 3-Chloro-4-methylbenzene-1-sulfonyl chloride, the main research area is arylsulfonamide perforin mediated lysis inhibitor structure activity Immunosuppressive; Arylsulphonamide; Bioisostere; Immunosuppressant; Perforin; Perforin inhibitor.

The structure-activity relationships for a series of arylsulfonamide-based inhibitors of the pore-forming protein perforin have been explored. Perforin is a key component of the human immune response, however, inappropriate activity has also been implicated in certain auto-immune and therapy-induced conditions such as allograft rejection and graft vs. host disease. Since perforin is expressed exclusively by cells of the immune system, inhibition of this protein would be a highly selective strategy for the immunosuppressive treatment of these disorders. Compounds from this series were demonstrated to be potent inhibitors of the lytic action of both isolated recombinant perforin and perforin secreted by natural killer cells in vitro. Several potent and soluble examples were assessed for in vivo pharmacokinetic properties and found to be suitable for progression to an in vivo model of transplant rejection.

European Journal of Medicinal Chemistry published new progress about Arenesulfonamides Role: PAC (Pharmacological Activity), PKT (Pharmacokinetics), RCT (Reactant), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), RACT (Reactant or Reagent), PREP (Preparation), USES (Uses). 42413-03-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2O2S, Recommanded Product: 3-Chloro-4-methylbenzene-1-sulfonyl chloride.

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

Shapiro, Robert H.; Jenkins, Thomas F. published the artcile< Evidence for anchimeric assistance in the expulsion of bromine from ring-substituted β-phenylethyl bromides: when is a simple cleavage a rearrangement>, Formula: C8H8BrCl, the main research area is phenethyl bromides Br expulsion; anchimeric assistance Br expulsion; dibromination phenacyl bromides.

Using the principles of the quasi-equilibrium theory, substituent effects, deuterium labeling, and comparison of compound behavior, evidence is given for aryl participation in the expulsion of Br from the mol. ion of β-phenylethyl bromide and eleven of its ring-substituted derivatives This reaction shows a kinetic behavior which is typical of rearrangements, its activation energy is lower than that of similar reactions where participation is partially or completely precluded and substituent effects are not only consistent with a participation process, but are also consistent with those predicted from solution chemistry.

Organic Mass Spectrometry published new progress about Electron beams. 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Formula: C8H8BrCl.

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

Lee, Wendy; Ortwine, Daniel F.; Bergeron, Philippe; Lau, Kevin; Lin, Lichuan; Malek, Shiva; Nonomiya, Jim; Pei, Zhonghua; Robarge, Kirk D.; Schmidt, Stephen; Sideris, Steve; Lyssikatos, Joseph P. published the artcile< A hit to lead discovery of novel N-methylated imidazolo-, pyrrolo-, and pyrazolo-pyrimidines as potent and selective mTOR inhibitors>, Recommanded Product: 2,6-Dichloro-9-methyl-9H-purine, the main research area is imidazolo pyrrolo pyrazolo pyrimidine preparation mTOR inhibitor; Mammalian target of rapamycin; Oncology; PI3K/Akt/mTOR pathway; Structure based design; mTOR kinase inhibitors.

A series of N-7-methyl-imidazolopyrimidine inhibitors I [R1 = Me, Et; R2 = N-morpholinyl, N-homomorpholinyl, N-(S)-3-methylmorpholinyl, N-(R)-3-methylmorpholinyl] of the mTOR kinase have been designed and prepared, based on the hypothesis that the N-7-Me substituent on imidazolopyrimidine would impart selectivity for mTOR over the related PI3Kα and δ kinases. The corresponding N-Me substituted pyrrolo[3,2-d]pyrimidines and pyrazolo[4,3-d]pyrimidines also show potent mTOR inhibition with selectivity toward both PI3α and δ kinases. The most potent compound synthesized is pyrazolo[4,3-d]pyrimidine II [R1 = Me, R2 = (S)-3-ethylmorpholin-4-yl]. Compound II shows a Ki of 2 nM against mTOR inhibition, remarkable selectivity (>2900×) over PI3 kinases, and excellent potency in cell-based assays.

Bioorganic & Medicinal Chemistry Letters published new progress about Molecular docking. 2382-10-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H4Cl2N4, Recommanded Product: 2,6-Dichloro-9-methyl-9H-purine.

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

Rosen, Brandon R.; Ul Sharif, Ehesan; Miles, Dillon H.; Chan, Nicholas S.; Leleti, Manmohan R.; Powers, Jay P. published the artcile< Improved synthesis of sterically encumbered heteroaromatic biaryls from aromatic β-keto esters>, Product Details of C8H4ClF3O2, the main research area is sterically hindered aryl aminopyrimidine preparation keto ester guanidine condensation.

A protocol for the synthesis of hindered 4-aryl 2-aminopyrimidines from β-keto esters is described. The process employs trifluoroethanol as an essential additive to promote the guanidine condensation reaction, enabling the synthesis of 25 aryl- and heteroaryl substituted aminopyrimidines in good yields and high purities with no column chromatog. The conditions described herein are readily scalable and have been employed in the large-scale synthesis of the clin. A2a/A2bR antagonist AB928.

Tetrahedron Letters published new progress about Aminopyrimidines Role: SPN (Synthetic Preparation), PREP (Preparation). 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Product Details of C8H4ClF3O2.

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

Zeng, Yan; Nie, Lifei; Bozorov, Khurshed; Ruzi, Zukela; Song, Buer; Zhao, Jiangyu; Aisa, Haji Akber published the artcile< 2-Substituted tricyclic oxazolo[5,4-d]pyrimidine library: Design, synthesis and cytotoxicity activity>, Formula: C8H4ClF3O2, the main research area is tetrahydrooxazolopyridopyrimidinone preparation cytotoxicity human.

Design, synthetic route and cytotoxicity of a library of 49 newly synthesized tricyclic oxazolo[5,4-d]pyrimidines I [R = Me, Ph, 4-BrC6H4, etc.] was reported. The condensed pyrimidinones were constructed from Et 5-aminooxazole-4-carboxylate building blocks. A tricyclic ring system was built using the naturally occurring mackinazolinone alkaloid with a focus on the mol. diversity at position C-2 of the oxazole ring. Synthesized compounds were evaluated against a panel of human cancer cell lines including MCF-7 (breast), HeLa (cervical) and A549 (lung) in vitro. The results revealed that substitution of halogen-related aromatic fragments at position C-2 of the oxazole ring may serve as promising anticancer drug candidates.

Journal of Heterocyclic Chemistry published new progress about Antitumor agents. 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Formula: C8H4ClF3O2.

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

Wang, Qian; Tao, Quan; Dong, Hui; Ni, Chuanfa; Xie, Xiaoming; Hu, Jinbo published the artcile< Fluorination Triggers Fluoroalkylation: Nucleophilic Perfluoro-tert-butylation with 1,1-Dibromo-2,2-bis(trifluoromethyl)ethylene (DBBF) and CsF>, Recommanded Product: 4-(Bromomethyl)-2-chloro-1-methoxybenzene, the main research area is electrophile fluorination fluoroalkylation dibromo bistrifluoromethylethylene magnetic resonance imaging safety; perfluoro tert butylated compound preparation; fluorination; fluoroalkylation; imaging probes; magnetic resonance imaging; perfluoro-tert-butylation.

Perfluoro-tert-butylation reaction has long remained a challenging task. We now report the use of 1,1-dibromo-2,2-bis(trifluoromethyl)ethylene (DBBF, I) as a practical reagent for perfluoro-tert-butylation reactions for the first time. Through a consecutive triple-fluorination process with DBBF and CsF, the (CF3)3C- species can be liberated and observed, which is able to serve as a robust nucleophilic perfluoro-tert-butylating agent for various electrophiles. The power of this synthetic protocol is evidenced by the efficient synthesis of structurally diverse perfluoro-tert-butylated mols. Multiple applications demonstrate the practicability of this method, as well as the superiority of perfluoro-tert-butylated compounds as sensitive probes. The perfluoro-tert-butylated product was successfully applied in 1H- and 19F-magnetic resonance imaging (MRI) experiment with an ultra-low field (ULF) MRI system.

Angewandte Chemie, International Edition published new progress about Electrophiles. 320407-92-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrClO, Recommanded Product: 4-(Bromomethyl)-2-chloro-1-methoxybenzene.

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

Fleming, Fraser F.; Wei, Guoqing; Steward, Omar W. published the artcile< Cyclic Nitriles: Stereodivergent Addition-Alkylation-Cyclization to cis- and trans-Abietanes>, Electric Literature of 16799-05-6, the main research area is stereoselective synthesis abietane diterpene addition alkylation cyclization cyclic nitrile; Friedel Crafts cyclization stereoselective synthesis abietane diterpene.

Diverse cyclic hydroxy nitriles are readily synthesized through sequential 1,2-1,4-Grignard addition-methylations to 3-oxo-1-cyclohexene-1-carbonitrile. Acid-catalyzed intramol. cyclizations of the cyclic hydroxy nitriles reveal fundamental stereoselectivity trends in Friedel-Crafts cyclizations to cis- and trans-abietanes, e.g. I and II. In contrast to previous assumptions, comparative cationic cyclizations with electron-rich and electron-poor aromatic nucleophiles exhibit similar preferences for cyclization to cis-abietanes. Optimizing the cyclizations for trans-abietanes has identified ZrCl4 as an exceptional Lewis acid which, for cyclizations of iminolactones, favors trans-abietanes as the only observable diastereomer. The sequential oxonitrile addition-Friedel-Crafts cyclization strategy provides a rapid, stereodivergent synthesis of cis- or trans-abietanes, demonstrates the dramatic influence of ZrCl4 in promoting cationic cyclizations, and in contrast to previous assumptions suggests that the cyclization stereoselectivity is not correlated with the electronic nature of the aromatic nucleus.

Journal of Organic Chemistry published new progress about Abietanes Role: SPN (Synthetic Preparation), PREP (Preparation). 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Electric Literature of 16799-05-6.

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

Schierle, Simone; Chaikuad, Apirat; Lillich, Felix F.; Ni, Xiaomin; Woltersdorf, Stefano; Schallmayer, Espen; Renelt, Beatrice; Ronchetti, Riccardo; Knapp, Stefan; Proschak, Ewgenij; Merk, Daniel published the artcile< Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics>, Electric Literature of 2905-54-6, the main research area is oxaprozin analog RXR agonist pharmacokinetic SAR.

The retinoid X receptors (RXR) are ligand-activated transcription factors involved in multiple regulatory networks as universal heterodimer partners for nuclear receptors. Despite their high therapeutic potential in many pathologies, targeting of RXR has only been exploited in cancer treatment as the currently available RXR agonists suffer from exceptional lipophilicity, poor pharmacokinetics (PK), and adverse effects. Aiming to overcome the limitations and to provide improved RXR ligands, we developed a new potent RXR ligand chemotype based on the nonsteroidal anti-inflammatory drug oxaprozin. Systematic structure-activity relationship anal. enabled structural optimization toward low nanomolar potency similar to the well-established rexinoids. Cocrystal structures of the most active derivatives demonstrated orthosteric binding, and in vivo profiling revealed superior PK properties compared to current RXR agonists. The optimized compounds were highly selective for RXR activation and induced RXR-regulated gene expression in native cellular and in vivo settings suggesting them as excellent chem. tools to further explore the therapeutic potential of RXR.

Journal of Medicinal Chemistry published new progress about Crystal structure. 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, Electric Literature of 2905-54-6.

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

Johnson, Sherida L.; Chen, Li-Hsing; Barile, Elisa; Emdadi, Aras; Sabet, Mojgan; Yuan, Hongbin; Wei, Jun; Guiney, Donald; Pellecchia, Maurizio published the artcile< Structure-activity relationship studies of a novel series of anthrax lethal factor inhibitors>, Reference of 42413-03-6, the main research area is benzothiazole preparation anthrax lethal factor inhibitor SAR.

We report on the identification of a novel small mol. inhibitor of anthrax lethal factor using a high-throughput screening approach. Guided by mol. docking studies, we carried out structure-activity relationship (SAR) studies and evaluated activity and selectivity of most promising compounds in in vitro enzyme inhibition assays and cellular assays. Selected compounds were further analyzed for their in vitro ADME properties, which allowed us to select two compounds for further preliminary in vivo efficacy studies. The data provided represents the basis for further pharmacol. and medicinal chem. optimizations that could result in novel anti-anthrax therapies.

Bioorganic & Medicinal Chemistry published new progress about Anthrax lethal factors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 42413-03-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2O2S, Reference of 42413-03-6.

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