Search results for: Benzyl 3-N,N-Dibenzylamino-2-fluoropropanoate C24H24FNO2 CAS: 887352-80-9
#38604579 
2024/04/10
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RIFM fragrance ingredient safety assessment, 4-allyl-2-methoxyphenyl benzyl ether, CAS Registry Number 57371-42-3.
A M Api, A Bartlett, D Belsito, D Botelho, M Bruze, A Bryant-Freidrich, G A Burton, M A Cancellieri, H Chon, M L Dagli, W Dekant, C Deodhar, K Farrell, A D Fryer, L Jones, K Joshi, A Lapczynski, M Lavelle, I Lee, H Moustakas, J Muldoon, T M Penning, G Ritacco, N Sadekar, I Schember, T W Schultz, F Siddiqi, I G Sipes, G Sullivan, Y Thakkar, Y Tokura
2915 related Products with: RIFM fragrance ingredient safety assessment, 4-allyl-2-methoxyphenyl benzyl ether, CAS Registry Number 57371-42-3.
1KG 1 G10 mg 5 G 1 G 1 G 5 G10 mg 5 G 25 G 100 G 100 G
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#38513663 2024/03/20
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Transport mechanism and pharmacology of the human GlyT1.
The glycine transporter 1 (GlyT1) plays a crucial role in the regulation of both inhibitory and excitatory neurotransmission by removing glycine from the synaptic cleft. Given its close association with glutamate/glycine co-activated NMDA receptors (NMDARs), GlyT1 has emerged as a central target for the treatment of schizophrenia, which is often linked to hypofunctional NMDARs. Here, we report the cryo-EM structures of GlyT1 bound with substrate glycine and drugs ALX-5407, SSR504734, and PF-03463275. These structures, captured at three fundamental states of the transport cycle-outward-facing, occluded, and inward-facing-enable us to illustrate a comprehensive blueprint of the conformational change associated with glycine reuptake. Additionally, we identified three specific pockets accommodating drugs, providing clear insights into the structural basis of their inhibitory mechanism and selectivity. Collectively, these structures offer significant insights into the transport mechanism and recognition of substrate and anti-schizophrenia drugs, thus providing a platform to design small molecules to treat schizophrenia.Yiqing Wei, Renjie Li, Yufei Meng, Tuo Hu, Jun Zhao, Yiwei Gao, Qinru Bai, Na Li, Yan Zhao
1728 related Products with: Transport mechanism and pharmacology of the human GlyT1.
0.1 ml100ul0.1 mg0.1 mg1mg200 5mg0.1ml (1mg/ml)1 ml0.1 ml101000
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#38419383 2024/02/28
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2D Graphene Oxide Membrane Nanoreactors for Rapid Directional Flow Ring-Opening Reactions with Dominant Same-Configuration Products.
Nanoconfinement within enzymes can increase reaction rate and improve selectivity under mild conditions. However, it remains a great challenge to achieve chemical reactions imitating enzymes with directional molecular motion, short reaction time, ≈100% conversion, and chiral conversion in artificial nanoconfined systems. Here, directional flow ring-opening reactions of styrene oxide and alcohols are demonstrated with ≈100% conversion in <120 s at 22 °C using graphene oxide membrane nanoreactors. Dominant products have the same configuration as chiral styrene oxide in confined reactions, which is dramatically opposed to bulk reactions. The unique chiral conversion mechanism is caused by spatial confinement, limiting the inversion of benzylic chiral carbon. Moreover, the enantiomeric excess of same-configuration products increased with higher alkyl charge in confined reactions. This work provides a new route to achieve rapid flow ring-opening reactions with specific chiral conversion within 2D nanoconfined channels, and insights into the impact of nanoconfinement on ring-opening reaction mechanisms.Jiangwei Fu, Shuai Pang, Yuhui Zhang, Xiang Li, Bo Song, Daoling Peng, Xiqi Zhang, Lei Jiang
1978 related Products with: 2D Graphene Oxide Membrane Nanoreactors for Rapid Directional Flow Ring-Opening Reactions with Dominant Same-Configuration Products.
1 kit1 kit1 kit100ug Lyophilized100ug Lyophilized5.0ml (200 PCR reactions)100μg 1 G25 ml100ug Lyophilized100ug Lyophilized100ug Lyophilized
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#38373587 2024/02/17
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RIFM fragrance ingredient safety assessment, isoeugenyl benzyl ether, CAS Registry Number 120-11-6.
A M Api, A Bartlett, D Belsito, D Botelho, M Bruze, A Bryant-Freidrich, G A Burton, M A Cancellieri, H Chon, M L Dagli, W Dekant, C Deodhar, K Farrell, A D Fryer, L Jones, K Joshi, A Lapczynski, M Lavelle, I Lee, H Moustakas, J Muldoon, T M Penning, G Ritacco, N Sadekar, I Schember, T W Schultz, F Siddiqi, I G Sipes, G Sullivan, Y Thakkar, Y Tokura
2921 related Products with: RIFM fragrance ingredient safety assessment, isoeugenyl benzyl ether, CAS Registry Number 120-11-6.
5 MG 100 G 5 G 25 G 5 G 1 G 1KG 5 G 1 G 25 G 5 G 1 G
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#38359754 2024/02/07
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1,3-Disubstituted-1,2,4-triazin-6-ones with potent activity against androgen receptor-dependent prostate cancer cells.
Synthesis and biological evaluation of a small, focused library of 1,3-disubstituted-1,2,4-triazin-6-ones for in vitro inhibitory activity against androgen-receptor-dependent (22Rv1) and androgen-receptor independent (PC3) castration-resistant prostate cancer (CRPC) cells led to highly active compounds with in vitro IC values against 22Rv1 cells of <200 nM, and with apparent selectivity for this cell type over PC3 cells. From metabolic/PK evaluations of these compounds, a 3-benzyl-1-(2,4-dichlorobenzyl) derivative had superior properties and showed considerably stronger activity, by nearly an order of magnitude, against AR-dependent LNCaP and C4-2B cells compared to AR-independent DU145 cells. This lead compound decreased AR expression in a dose and time dependent manner and displayed promising therapeutic effects in a 22Rv1 CRPC xenograft mouse model. Computational target prediction and subsequent docking studies suggested three potential known prostate cancer targets: p38a MAPK, TGF-β1, and HGFR/c-Met, with the latter case of c-Met appearing stronger, owing to close structural similarity of the lead compound to known pyridazin-3-one derivatives with potent c-Met inhibitory activity. RNA-seq analysis showed dramatic reduction of AR signalling pathway and/or target genes by the lead compound, subsequently confirmed by quantitative PCR analysis. The lead compound was highly inhibitory against HGF, the c-Met ligand, which fitted well with the computational target prediction and docking studies. These results suggest that this compound could be a promising starting point for the development of an effective therapy for the treatment of CRPC.Shiting Zhao, Abdelsalam S Ali, Xiaomin Liu, Zhiwei Yu, Xinyu Kong, Yan Zhang, G Paul Savage, Yong Xu, Bin Lin, Donghai Wu, Craig L Francis
2714 related Products with: 1,3-Disubstituted-1,2,4-triazin-6-ones with potent activity against androgen receptor-dependent prostate cancer cells.
96T100ug1.00 flask100ug100.00 ul200ug100ul100ug
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#38126374 2024/01/17
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Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach.
Residual dipolar couplings (RDCs) are employed in NMR analysis when conventional methods, such as -couplings and nuclear Overhauser effects (NOEs) fail. Low-energy (optimized) conformers are often used as input structures in RDC analysis programs. However, these low-energy structures do not necessarily resemble conformations found in anisotropic environments due to interactions with the alignment medium, especially if the analyte molecules are flexible. Considering interactions with alignment media in RDC analysis, we developed and evaluated a molecular docking-based approach to generate more accurate conformer ensembles for compounds in the presence of the poly-γ-benzyl-L-glutamate alignment medium. We designed chiral phosphorus-containing compounds that enabled us to utilize P NMR parameters for the stereochemical analysis. Using P3D/PALES software to evaluate diastereomer discrimination, we found that our conformer ensembles outperform moderately the standard, low-energy conformers in RDC analysis. To further improve our results, we (i) averaged the experimental values of the molecular docking-based conformers by applying the Boltzmann distribution and (ii) optimized the structures through normal mode relaxation, thereby enhancing the Pearson correlation factor and even diastereomer discrimination in some cases. Nevertheless, we presume that significant differences between -couplings in isotropic and in anisotropic environments may preclude RDC measurements for flexible molecules. Therefore, generating conformer ensembles based on molecular docking enhances RDC analysis for mildly flexible systems while flexible molecules may require applying more advanced approaches, in particular approaches including dynamical effects.Markéta Christou Tichotová, Lucie Tučková, Hugo Kocek, Aleš Růžička, Michal Straka, Eliška Procházková
2852 related Products with: Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach.
1 module 120 ml 3 modules 100 UG1 module0.2 mg50 ug2 modules
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#38090068 2023/12/11
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The preparation and characterization of self-healing hydrogels based on polypeptides with a dual response to light and hydrogen peroxide.
Injectable self-healing hydrogels are being widely used in drug delivery, tissue engineering, and other fields. Because of their excellent biocompatibility and biodegradability, polypeptides are an ideal candidate for preparing injectable self-healing hydrogels. In this study, a polypeptide-based hydrogel with dual response to hydrogen peroxide and light was obtained by copolymerizing 4-arm PEG-amine, -(-nitrophenoxycarbonyl)-l-methionine, and -(-nitrophenoxycarbonyl)-γ--nitrobenzyl-l-glutamate. The hydrogel exhibits injectable self-healing behavior due to the hydrophobic interactions among peptide blocks, which also act as the reservoir of hydrophobic drug molecules. In the presence of hydrogen peroxide or under light irradiation, the thioether bond in methionine was oxidized to sulfoxide, whereas the -nitro benzyl ester bond was broken to form glutamic acid. As a result, the corresponding hydrophobic blocks of polypeptide become hydrophilic, accelerating the release of drug molecules loaded in the polypeptide hydrophobic blocks. Using this technique, the controlled release of hydrophobic drug molecules was achieved. Our efforts could provide a new strategy for the preparation of self-healing hydrogels based on polypeptides with a dual response to hydrogen peroxide and light. In this view, the practical application of polypeptides in drug delivery, tissue engineering, and other fields, could be expanded and advanced.Congwei Wang, Dinglei Zhao, Yongjun Xie, Qiang Zhou, Haiyang Yang