Tag: M.W=250-300

Wager, Travis T. published the artcileDiscovery of Two Clinical Histamine H₃ Receptor Antagonists: trans-N-Ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidinylmethyl)phenyl]cyclobutanecarboxamide (PF-03654746) and trans-3-Fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(2-methylpropyl)cyclobutanecarboxamide (PF-03654764), Related Products of bromides-buliding-blocks, the publication is Journal of Medicinal Chemistry (2011), 54(21), 7602-7620, database is CAplus and MEDLINE.

The discovery of two histamine H₃ antagonist clin. candidates is disclosed. The pathway to identification of the two clin. candidates, 6 (PF-03654746, I, R=Et) and 7 (PF-03654764, I, R=isobutyl) required five hypothesis driven design cycles. The key to success in identifying these clin. candidates was the development of a compound design strategy that leveraged medicinal chem. knowledge and traditional assays in conjunction with computational and in vitro safety tools. Overall, clin. compounds 6 and 7 exceeded conservative safety margins and possessed optimal pharmacol. and pharmacokinetic profiles, thus achieving our initial goal of identifying compounds with fully aligned oral drug attributes, “best-in-class” mols.

Journal of Medicinal Chemistry published new progress about 76283-09-5. 76283-09-5 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzyl bromide,Benzene, name is 4-Bromo-1-(bromomethyl)-2-fluorobenzene, and the molecular formula is C6H8O3, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Son, Jung-Ho published the artcile1-Benzylspiro[piperidine-4,1′-pyrido[3,4-b]indole] ‘co-potentiators’ for minimal function CFTR mutants, Application In Synthesis of 76283-09-5, the publication is European Journal of Medicinal Chemistry (2021), 112888, database is CAplus and MEDLINE.

A spiro [piperidine-4,1-pyrido [3,4-b]indoles] I (R¹ = 6-OMe, 6-Br, 6-Cl, 7-OMe; R² = benzyl, furan-2-ylmethyl, pyridin-2-ylmethyl, etc.) class of co-potentiators that function in synergy with existing CFTR potentiators such as VX-770 or GLGP1837 to restore channel activity of a defined subset of minimal function cystic fibrosis transmembrane conductance regulator (CFTR) mutants has been described. Here, structure-activity studies were conducted to improve their potency over the previously identified compound, I (R¹ = 6-OMe; R² = benzyl) 20 (originally termed CP-A01). Targeted synthesis of 37 spiro [piperidine-4,1-pyrido [3,4-b]indoles] I was generally accomplished using versatile two or three step reaction protocols with each step having high efficiency. Structure-activity relationship studies established that analog I [R¹ = 6-OMe; R² = (2,4,5-trifluorophenyl)methyl], with 6′-methoxyindole and 2,4,5-trifluorobenzyl substituents, had the greatest potency for activation of N1303K-CFTR, with EC50 ∼600 nM representing an ∼17-fold improvement over the original compound identified in a small mol. screen.

European Journal of Medicinal Chemistry published new progress about 76283-09-5. 76283-09-5 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzyl bromide,Benzene, name is 4-Bromo-1-(bromomethyl)-2-fluorobenzene, and the molecular formula is C28H29NO4, Application In Synthesis of 76283-09-5.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Koehne, Ingo published the artcileSynthesis of Geminal Bis- and Tetrakisphosphonate Ester Derivatives and Their Coordination Behavior Towards Ca(II) Ions, Synthetic Route of 21101-63-3, the publication is European Journal of Inorganic Chemistry (2022), 2022(17), e202200194, database is CAplus.

The preparation and thorough characterization of a variety of (arylmethylene)phosphonate ester derivatives (S1-S7) as well as derived geminal bisphosphonate (BP) ester ligands (L1-L7) is presented. Subsequent complexation reactions of CaCl₂ with selected BPs (L1-L3) and a known aliphatic tetrakisphosphonate ester (L8) yield the resp. Ca(II) coordination compounds [Ca(H₂O)₂(L1-L3)₂]Cl₂ (C1-C3) and [Ca(L8)Cl₂]_n (C4) for potential future application as multi-delivery systems in osteoporosis treatment. Obtained SCXRD and ¹H DOSY-NMR data provide a detailed insight into their solid- as well as solution-state structures extending the so far scarcely found X-ray studies on geminal BP-supported Ca(II) complexes.

European Journal of Inorganic Chemistry published new progress about 21101-63-3. 21101-63-3 belongs to bromides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Bromide,sulfides,Benzyl bromide,Benzene, name is (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane, and the molecular formula is C8H6BrF3S, Synthetic Route of 21101-63-3.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Chen, Lin X. published the artcileNovel Nanoscale Organic Materials for Optimal Photovoltaic Functions, Application of 2-Bromo-3-(2-ethylhexyl)thiophene, the publication is Materials Research Society Symposium Proceedings (2007), No pp. given, Paper #: 0974-CC06-11, database is CAplus.

Covalently linked electron donor (D) and electron acceptor (A) with conjugated organic building blocks are novel materials for potential solar cell applications, because these mol. p-n junctions can minimize the exciton diffusion and transform the charge separation from interdomain to intramol. processes. Hence, the bottleneck of the exciton diffusion in many bulk heterojunction materials can be eliminated. Meanwhile, these planar conjugated assemblies, such as supermols., multiblock oligomers and polymers, have strong tendency to p-p stacking to form continuous channels for charge carriers to hop/diffuse to resp. electrodes. A quartet D-A assembly has been synthesized with bis-oligothiophene (BOTH) and bis-perylenediimide (BPDI) derivatives attached to a benzo template. The electronic structures and dynamics of photoinduced charge separation and recombination of this quartet mol. and reference compounds in solutions and films were studied at isolated the mol. level in solutions as well as at the mol. assembly level in films with stacked structures. Two different dynamics of charge separation and recombination associated with two types of donor/acceptor pair conformations in solution were observed This mol. system exhibits a more efficient charge separation than charge recombination processes in both polar and non-polar organic solvents, as well as films. More efficient charge separation and slower charge recombination due to the covalent linkage indicating that the material is a potential candidate for photovoltaic studies in solid-state.

Materials Research Society Symposium Proceedings published new progress about 303734-52-3. 303734-52-3 belongs to bromides-buliding-blocks, auxiliary class Thiophene,Bromide, name is 2-Bromo-3-(2-ethylhexyl)thiophene, and the molecular formula is C12H19BrS, Application of 2-Bromo-3-(2-ethylhexyl)thiophene.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Puerstinger, Gerhard published the artcileAntiviral 2,5-disubstituted imidazo[4,5-c]pyridines: Further optimization of anti-hepatitis C virus activity, Name: (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane, the publication is Bioorganic & Medicinal Chemistry Letters (2007), 17(18), 5111-5114, database is CAplus and MEDLINE.

Substituted 5-benzyl-2-phenyl-5H-imidazo[4,5-c]pyridines represent a novel class of compounds with activity against pestiviruses and the hepatitis C virus (HCV). Several series of analogs with modifications of the substituents in positions 2 and 5 were prepared These efforts resulted in the discovery of several compounds with potent antiviral activity of which 2-(2,3-difluorophenyl)-5-[4-(trifluoromethyl)benzyl]-5H-imidazo[4,5-c]pyridine (I) was most potent against HCV (EC₅₀ of 0.10 μM and a selectivity index of 1080).

Bioorganic & Medicinal Chemistry Letters published new progress about 21101-63-3. 21101-63-3 belongs to bromides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Bromide,sulfides,Benzyl bromide,Benzene, name is (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane, and the molecular formula is C8H6BrF3S, Name: (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Puerstinger, Gerhard published the artcileAntiviral 2,5-disubstituted imidazo[4,5-c]pyridines: Further optimization of anti-hepatitis C virus activity, Formula: C7H5Br2F, the publication is Bioorganic & Medicinal Chemistry Letters (2007), 17(18), 5111-5114, database is CAplus and MEDLINE.

Substituted 5-benzyl-2-phenyl-5H-imidazo[4,5-c]pyridines represent a novel class of compounds with activity against pestiviruses and the hepatitis C virus (HCV). Several series of analogs with modifications of the substituents in positions 2 and 5 were prepared These efforts resulted in the discovery of several compounds with potent antiviral activity of which 2-(2,3-difluorophenyl)-5-[4-(trifluoromethyl)benzyl]-5H-imidazo[4,5-c]pyridine (I) was most potent against HCV (EC₅₀ of 0.10 μM and a selectivity index of 1080).

Bioorganic & Medicinal Chemistry Letters published new progress about 76283-09-5. 76283-09-5 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzyl bromide,Benzene, name is 4-Bromo-1-(bromomethyl)-2-fluorobenzene, and the molecular formula is C7H5Br2F, Formula: C7H5Br2F.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Wu, Shaoxiang published the artcileDiastereoselective and Enantioselective Epoxidation of Acyclic β-Trifluoromethyl-β,β-Disubstituted Enones by Hydrogen Peroxide with a Pentafluorinated Quinidine-Derived Phase-Transfer Catalyst, COA of Formula: C7H5Br2F, the publication is Advanced Synthesis & Catalysis (2013), 355(10), 1917-1923, database is CAplus.

An efficient catalytic asym. epoxidation of β-trifluoromethyl-β,β-disubstituted unsaturated ketones has been achieved by a pentafluorine-substituted phase-transfer catalyst with hydrogen peroxide (30%). Thus, the β-trifluoromethyl-α,β-epoxy ketones e. g., I, with a quaternary carbon center were obtained in excellent diastereoselectivities (up to 100:1 dr) and excellent enantioselectivities (up to 99.7% ee). Low catalyst loading, recycle of catalyst, environmentally benign oxidant and easy transformation of the epoxides into medicinally important trifluoromethylated intermediate make our protocol much more practical.

Advanced Synthesis & Catalysis published new progress about 76283-09-5. 76283-09-5 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzyl bromide,Benzene, name is 4-Bromo-1-(bromomethyl)-2-fluorobenzene, and the molecular formula is C10H2F12NiO4, COA of Formula: C7H5Br2F.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Brem, Jurgen published the artcileImitation of β-lactam binding enables broad-spectrum metallo-β-lactamase inhibitors, Related Products of bromides-buliding-blocks, the publication is Nature Chemistry (2022), 14(1), 15-24, database is CAplus and MEDLINE.

Carbapenems are vital antibiotics, but their efficacy is increasingly compromised by metallo-β-lactamases (MBLs). Here we report the discovery and optimization of potent broad-spectrum MBL inhibitors. A high-throughput screen for NDM-1 inhibitors identified indole-2-carboxylates (InCs) as potential β-lactamase stable β-lactam mimics. Subsequent structure-activity relationship studies revealed InCs as a new class of potent MBL inhibitor, active against all MBL classes of major clin. relevance. Crystallog. studies revealed a binding mode of the InCs to MBLs that, in some regards, mimics that predicted for intact carbapenems, including with respect to maintenance of the Zn(II)-bound hydroxyl, and in other regards mimics binding observed in MBL-carbapenem product complexes. InCs restore carbapenem activity against multiple drug-resistant Gram-neg. bacteria and have a low frequency of resistance. InCs also have a good in vivo safety profile, and when combined with meropenem show a strong in vivo efficacy in peritonitis and thigh mouse infection models. [graphic not available: see fulltext]

Nature Chemistry published new progress about 76283-09-5. 76283-09-5 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzyl bromide,Benzene, name is 4-Bromo-1-(bromomethyl)-2-fluorobenzene, and the molecular formula is C7H5Br2F, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Marenets, M. S. published the artcile4-Trifluoromethylthiostyrene, HPLC of Formula: 21101-63-3, the publication is Ukrainskii Khimicheskii Zhurnal (Russian Edition) (1968), 34(9), 938-40, database is CAplus.

Addition of Br to refluxing p-F3CSC6H4Me illuminated with a 300-w. lamp formed p-F3CSC6H4CH2Br (I), m. 52-2.5° (aqueous MeOH). I and hexa-methylenetetramine in 50% HOAc refluxed 2 hrs., then refluxed 15 min. with aqueous HCl formed p-F3CSC6H4CHO (II), m. 26-7°, also prepared from p-F3CC6H4CONHPh via reaction with PCl5 in PhMe and reduction in an Et2O solution of SnCl2 saturated with HCl. II and MeMgI formed p-F3CSC6H4CHMeOH (III), b18 124°, d20 1.2854, n20D 1.4938. p-F3CSC6H4CH:CHCO2H (IV), m. 199-200°, was prepared from II and CH2(CO2H)2 in pyridine containing a little piperidine. p-F3CSC6H4CH:CH2, b18 93° [dibromide m. 34-5° (EtOH)], was obtained from III and IV by dehydration and decarboxylation, resp.

Ukrainskii Khimicheskii Zhurnal (Russian Edition) published new progress about 21101-63-3. 21101-63-3 belongs to bromides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Bromide,sulfides,Benzyl bromide,Benzene, name is (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane, and the molecular formula is C8H6BrF3S, HPLC of Formula: 21101-63-3.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Kim, Ji-Hoon published the artcileHigh open-circuit voltage organic photovoltaic cells fabricated using semiconducting copolymers consisting of bithiophene and fluorinated quinoxaline or triazole derivatives, Quality Control of 303734-52-3, the publication is Synthetic Metals (2014), 88-96, database is CAplus.

Two new alternating copolymers consisting of bithiophene and fluorinated quinoxaline or fluorinated benzotriazole derivatives, namely, poly[{4,4′-bis(2-ethylhexyl)-2,2′-bithiophene-5,5′-diyl}-alt-{6,7-difluoro-5,5-(5,8-di-2-thienyl-2,3-bis(4-octyloxyl)phenyl) quinoxaline}] (PBT-DFDTQX) and poly[{4,4′-bis(2-ethylhexyl)-2,2′-bithiophene-5,5′-diyl}-alt-{4,7-bis(5-thiophen-2-yl)-5,6-difluoro-2-(heptadecan-9-yl)-2H-benzo[d][1,2,3]triazole}] (PBT-DFDTBTz), were synthesized by the Stille cross coupling reaction for application in organic photovoltaic cells. The optical band gaps of PBT-DFDTQX and PBT-DFDTBTz are 1.77 and 1.90 eV, resp. The synthesized polymers showed relatively deep HOMO energy levels (-5.52 eV for PBT-DFDTQX and -5.54 eV for PBT-DFDTBTz) owing to the strong electron accepting nature of F. The polymers were used to fabricate bulk heterojunction photovoltaic devices with [6,6]-Ph C₇₁-butylic acid Me ester (PC₇₁BM) as the electron acceptor. Devices fabricated using PBT-DFDTQX and PBT-DFDTBTz showed the maximum power conversion efficiency (PCE) of 4.01 and 4.22%, resp., with a high open-circuit voltage of over 0.95 V under AM 1.5 G (100 mW/cm²) conditions.

Synthetic Metals published new progress about 303734-52-3. 303734-52-3 belongs to bromides-buliding-blocks, auxiliary class Thiophene,Bromide, name is 2-Bromo-3-(2-ethylhexyl)thiophene, and the molecular formula is C12H19BrS, Quality Control of 303734-52-3.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary