Month: December 2022

Ling, Mingjian published the artcileNIR-II emissive dye based polymer nanoparticle targeting EGFR for oral cancer theranostics, Related Products of iodides-buliding-blocks, the publication is Nano Research (2022), 15(7), 6288-6296, database is CAplus.

Oral cancer is a common malignant tumor of the head and neck, and surgery combined with radiotherapy and chemotherapy is the primary treatment modality. However, a pos. resection margin that may lead to recurrence after surgery has always been a critical issue to address. Furthermore, radiotherapy and chemotherapy also have shortcomings such as resistance to chemotherapy and radiation, lack of targeting, and severe side effects. Therefore, exploring new methods of tumor surgical navigation and tumor treatment is of great significance for oral cancer. Although, the emerging near-IR II (NIR-II, 1,000-1,700 nm) region fluorescent imaging has revolutionized surgical navigation, a high tumor-targeting fluorescent probe remains lacking. Furthermore, while emerging photothermal therapy (PTT) can overcome chemoradiotherapy’s shortcomings and achieve precise treatment of tumors, its clin. application is still limited by the lack of high photothermal conversion efficiency, high photothermal stability, and highly penetrating materials. Herein, a NIR-II dye SQ890 is developed for tumor imaging and PTT of oral cancer. By assembling into nanoparticles (NPs) and being modified with epithelial growth factor receptor (EGFR)-targeting peptides GE11, SQ890 NPs-Pep can specifically accumulate in tumor sites via active targeting, and realize photoacoustic/NIR-II fluorescence dual-modality imaging-guided PTT of oral cancer.

Nano Research published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C6H13I, Related Products of iodides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Tian, Minggang published the artcileDual-Emissive Probe for Reversible Visualization of ΔΨ_m Revealing Voltage Heterogeneity in a Single Mitochondrion, Synthetic Route of 638-45-9, the publication is Analytical Chemistry (Washington, DC, United States) (2021), 93(7), 3493-3501, database is CAplus and MEDLINE.

Mitochondrial membrane potential (ΔΨ_m) is a fundamentally important parameter in eukaryotic cells playing central roles in various vital biol. processes. Precise visualization of ΔΨ_m depends on the robust ratiometric fluorescent probes. In this work, a new dual-emissive fluorescent probe has been fabricated for ratiometric visualization of ΔΨ_m. The unique probe can form near-IR emissive aggregates (~670 nm) in mitochondria with high ΔΨ_m, which turned to green-emitting monomers (530 nm) with loss of ΔΨ_m. The reversible changes of ΔΨ_m can be clearly observed, and the ultralarge emission shift (~140 nm) is greatly favorable for the clear observation of voltage distribution under a super-resolution microscope. With the robust probe, the heterogenous voltage distribution in a single mitochondrion has been revealed for the first time, which can facilitate the in-depth understanding of fine structures in mitochondria. The cell damages induced by various reagents were successfully visualized using the innovative probe, demonstrating its pronounced potential for biol. research.

Analytical Chemistry (Washington, DC, United States) published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C10H9IO4, Synthetic Route of 638-45-9.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Zhou, Fang published the artcileA new red-emitting fluorescence probe for rapid and effective visualization of bisulfite in food samples and live animals, Application In Synthesis of 606-55-3, the publication is Journal of Agricultural and Food Chemistry (2019), 67(15), 4375-4383, database is CAplus and MEDLINE.

The development of new methods for rapid and effective detection of bisulfite (HSO₃^–) in food samples and imaging of HSO₃^– intake in animals is of significant importance due to the key roles of HSO₃^– in food quality assurance and community health. In this work, a new responsive fluorescence probe, EQC, is reported for the quant. detection of HSO₃^– in food samples and visualization of HSO₃^– intake in animals. Upon addition of HSO₃^–, the UV-vis absorption and red emission of EQC were significantly decreased within 120 s. The changes in absorption and emission spectra of EQC were rationalized by theor. computations. The proposed reaction mechanism of EQC with HSO₃^– was confirmed by high-resolution mass spectrometry (HRMS) and spectroscopic titration measurements. EQC has the advantages of high sensitivity, selectivity (a detection limit of 18.1 nM), and fast response toward HSO₃^–, which enable rapid and effective HSO₃^– detection in buffer solution The practical applications of EQC were demonstrated by the detection of HSO₃^– in food samples and the imaging of HSO₃^– intake in live animals.

Journal of Agricultural and Food Chemistry published new progress about 606-55-3. 606-55-3 belongs to iodides-buliding-blocks, auxiliary class Quinoline,Salt, name is 1-Ethyl-2-methylquinolin-1-ium iodide, and the molecular formula is C21H24O8, Application In Synthesis of 606-55-3.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Shigemitsu, Yasuhiro published the artcileSynthesis and electronic spectra of novel merocyanine dyes bearing a maleimide ring incorporated into the methine chains, Name: 1-Ethyl-2-methylquinolin-1-ium iodide, the publication is Dyes and Pigments (2003), 56(2), 167-179, database is CAplus.

The present article describes the synthesis of new polymethine dyes with a heterocyclic ring incorporated into the methine chain. 1-Alkyl-2- or 4-methylpyridinium salts and related compounds reacted at the exocyclic double bond with cyano- or methoxycarbonyl heterocycles bearing a methylthio group to give new polymethine dyes in good yield. This reaction occurred by an addition-elimination mechanism, involving nucleophilic attack of cyclic enamines at deficient carbon atoms on the heterocycles followed by elimination of MeSH. The polymethine dyes obtained are red, violet, and blue in color with absorption peaks at 524-614 nm. Semi-empirical as well as ab-initio quantum chem. calculations were used to theor. characterize their π-π absorption maxima in the visible region which plays a decisive role in their color appearances.

Dyes and Pigments published new progress about 606-55-3. 606-55-3 belongs to iodides-buliding-blocks, auxiliary class Quinoline,Salt, name is 1-Ethyl-2-methylquinolin-1-ium iodide, and the molecular formula is C13H10O3, Name: 1-Ethyl-2-methylquinolin-1-ium iodide.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Sivakumar, Ganesan published the artcileSingle-Molecular Mn(I)-Complex-Catalyzed Tandem DoubleDehydrogenative Cross-Coupling of (Amino)Alcohols under Solventless Conditions with the Liberation of H₂ and H₂O, Recommanded Product: (2-Amino-5-iodophenyl)methanol, the publication is ACS Sustainable Chemistry & Engineering (2022), 10(22), 7362-7373, database is CAplus.

Sustainable chem. production requires fundamentally new types of catalysts and catalytic technologies. The development of coherent and robust catalytic systems based on earth-abundant transition metals is essential but extremely challenging. Herein, authors report the first report on a single Mn(I)-PNP catalyzed tandem C-C and C-N bond formation via double dehydrogenative coupling of amino alcs. with primary alcs. The current method covers a wide range of substrates, including aryl, aliphatic acyclic, and cyclic primary alcs., as well as amino alcs., to provide diverse N-heterocyclic compounds (pyridine and quinoline derivatives) in good to excellent yields (50 examples). The reaction proceeds under benign, solventless conditions with the liberation of mol. hydrogen and water as the only byproducts. Various control and labeling experiments and kinetic, NMR, and mechanistic studies suggest that the reaction operates via the acceptorless double dehydrogenative coupling pathway, selectively assimilating to provide desired N-heterocycles. Several selective bond activation/formation reactions occur sequentially via amine-amide metal-ligand cooperation.

ACS Sustainable Chemistry & Engineering published new progress about 53279-83-7. 53279-83-7 belongs to iodides-buliding-blocks, auxiliary class Iodide,Amine,Benzene,Alcohol, name is (2-Amino-5-iodophenyl)methanol, and the molecular formula is C8H7ClO3, Recommanded Product: (2-Amino-5-iodophenyl)methanol.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Martinez-Lara, Fernando published the artcileStraight access to highly fluorescent angular indolocarbazoles via merging Au- and Mo-catalysis, COA of Formula: C7H3IN2O2, the publication is Organic Chemistry Frontiers (2020), 7(14), 1869-1877, database is CAplus.

A straightforward and efficient synthesis of the two less explored types of indolocarbazoles I (R¹, R² = Me, Ph; R³ = H, F, Cl, MeO, CF₃, CN) and II [R⁴-R⁶ = Me, Ph; R⁵R⁶ = (CH₂)₄] has been developed. Two different processes for the carbazole nucleus preparation, a gold-catalyzed regioselective cyclization followed by the dioxomolybdenum-catalyzed version of Cadogan reductive cyclization, enables the sequential construction of two carbazole cores. The procedure features total regioselectivity and high overall yields. The required starting α-indol-3-ylalkyl propargylic alcs. are easily and efficiently accessed from com. available reagents. In addition, the photoluminescent properties of two indolo[2,3-c]carbazoles I (R¹ = Me; R² = Me, Ph; R³ = H), with fluorescence quantum yields around 0.7, have been studied.

Organic Chemistry Frontiers published new progress about 101420-79-5. 101420-79-5 belongs to iodides-buliding-blocks, auxiliary class Nitrile,Nitro Compound,Iodide,Benzene,Benzene Compounds, name is 4-Iodo-3-nitrobenzonitrile, and the molecular formula is C7H3IN2O2, COA of Formula: C7H3IN2O2.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Hwang, Jimin published the artcileOptimization of peptide-based inhibitors targeting the HtrA serine protease in Chlamydia: Design, synthesis and biological evaluation of pyridone-based and N-capping group-modified analogs, Formula: C5H9IO2, the publication is European Journal of Medicinal Chemistry (2021), 113692, database is CAplus and MEDLINE.

The obligate intracellular bacterium Chlamydia trachomatis (C. trachomatis) is responsible for the most common bacterial sexually transmitted infection and is the leading cause of preventable blindness, representing a major global health burden. While C. trachomatis infection is currently treatable with broad-spectrum antibiotics, there would be many benefits of a chlamydia-specific therapy. Previously, we have identified a small-mol. lead compound JO146 [Boc-Val-Pro-Val^P(OPh)₂] targeting the bacterial serine protease HtrA, which is essential in bacterial replication, virulence and survival, particularly under stress conditions. JO146 is highly efficacious in attenuating infectivity of both human (C. trachomatis) as well as koala (C. pecorum) species in vitro and in vivo, without host cell toxicity. Herein, we present our continuing efforts on optimizing JO146 by modifying the N-capping group as well as replacing the parent peptide structure with the 2-pyridone scaffold at P3/P2. The drug optimization process was guided by mol. modeling, enzyme and cell-based assays. Compound (I) (Cbz = benzyloxycarbonyl) from the pyridone series showed improved inhibitory activity against CtHtrA by 5-fold and selectivity over human neutrophil elastase (HNE) by 109-fold compared to JO146, indicating that 2-pyridone is a suitable bioisostere of the P3/P2 amide/proline for developing CtHtrA inhibitors. Most pyridone-based inhibitors showed superior anti-chlamydial potency to JO146 especially at lower doses (25 and 50μM) in C. trachomatis and C. pecorum cell culture assays. Modifications of the N-capping group of the peptidyl inhibitors did not have much influence on the anti-chlamydial activities, providing opportunities for more versatile alterations and future optimization. In summary, we present 2-pyridone based analogs as a new generation of non-peptidic CtHtrA inhibitors, which hold better promise as anti-chlamydial drug candidates.

European Journal of Medicinal Chemistry published new progress about 31253-08-4. 31253-08-4 belongs to iodides-buliding-blocks, auxiliary class Iodide,Ester, name is Ethyl 2-Iodopropionate, and the molecular formula is C5H9IO2, Formula: C5H9IO2.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Poli, Rinaldo published the artcileNew mechanistic insights into ATRP using molybdenum coordination compounds, Name: Ethyl 2-Iodopropionate, the publication is Polymer Preprints (American Chemical Society, Division of Polymer Chemistry) (2005), 46(2), 305-306, database is CAplus.

Atom transfer radical polymerization (ATPR) of Me acrylate (MA) using the same halogen on both the Mo complex catalyst (CpMoX₂(ⁱPr₂dad); X = Cl or iodine; dad = diazadiene) and the initiator (MeCHYCO₂Et; Y = Cl or iodine) was unsuccessful when the halogen was Cl and no cocatalyst was present. However, the polymerization occurred smoothly in the presence of the cocatalyst Al(OPrⁱ)₃. M_n grew linearly with the conversion, although the polydispersity index was relatively high (ca. 1.5). The apparent rate constant increased by a factor of ca. 10 on changing the initiator from MeCHClCO₂Et to MeCHICO₂Et. The initiator efficiency factor, f, was 0.37 when using the chloride initiator, the lowest value observed so far. In the case of the fully iodine-based system, the polymerization was pseudo-living both with and without Al(OPrⁱ)₃. Thus, the ATRP of MA os accelerated by replacing Cl by iodine in the Mo catalyst (by a factor of ca. 5) and f is unity for this system. Finally, investigations of the stable free radical polymerization (SFRP) of styrene and MA revealed that irreversible radical trapping occurred. The low initiator efficiency factor in ATRP may be explained rather easily, and indeed must be expected, each time that the ATRP catalyst is also capable of trapping irreversibly the active radical.

Polymer Preprints (American Chemical Society, Division of Polymer Chemistry) published new progress about 31253-08-4. 31253-08-4 belongs to iodides-buliding-blocks, auxiliary class Iodide,Ester, name is Ethyl 2-Iodopropionate, and the molecular formula is C5H9IO2, Name: Ethyl 2-Iodopropionate.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Poli, Rinaldo published the artcileAn experimental and computational study on the effect of Al(OiPr)₃ on atom-transfer radical polymerization and on the catalyst-dormant-chain halogen exchange, Quality Control of 31253-08-4, the publication is Chemistry – A European Journal (2005), 11(8), 2537-2548, database is CAplus and MEDLINE.

Compound Al(OiPr)₃ is shown to catalyze the halide-exchange process leading from [Mo(Cp)Cl₂(iPrN=CH-CH=NiPr)] and CH₃CH-(X)COOEt (X=Br, I) to the mixed-halide complexes [Mo(Cp)ClX(iPrN=CH-CH=NiPr)]. No significant acceleration is observed for the related exchange between [MoX₃(PMe₃)₃] (X=Cl, I) and PhCH(Br)CH₃, by analogy to a previous report dealing with the Ru^II complex [RuCl₂(PPh₃)₃]. A DFT computation study, carried out on the model complexes [Mo(Cp)Cl₂(PH₃)₂], [MoCl₃(PH₃)₃], and [RuCl₂(PH₃)₃], and on the model initiators CH₃CH(Cl)COOCH₃, CH₃Cl, and CH₃Br, reveals that the 16-electron Ru^II complex is able to coordinate the organic halide RX in a slightly exothermic process to yield saturated, diamagnetic [RuCl₂(PH₃)₃(RX)] adducts. The 15-electron [MoCl₃(PH₃)₃] complex is equally capable of forming an adduct, i.e., the 17-electron [MoCl₃(PH₃)₃(CH₃Cl)] complex with a spin doublet configuration, although the process is endothermic, because it requires an energetically costly electron-pairing process. The interaction between the 17-electron [Mo(Cp)Cl₂(PH₃)₂] complex and CH₃Cl, is repulsive and does not lead to a stable 19-electron adduct. The [RuCl₂(PH₃)₃(CH₃X)] system leads to an isomeric complex [RuClX(PH₃)₃(CH₃Cl)] by internal nucleophilic substitution at the carbon atom. The transition state of this process for X=Cl (degenerate exchange) is located at lower energy than the transition state required for halogen-atom transfer leading to [RuCl₃(PH₃)₃] and the free radical CH₃. On the basis of these results, the uncatalyzed halide exchange is interpreted as the result of a competitive S_Ni process, whose feasibility depends on the electronic configuration of the transition-metal complex. The catalytic action of Al(OiPr)₃ on atom-transfer radical polymerization (and on halide exchange for the 17-electron half-sandwich Mo^III complex) results from a more favorable Lewis acid-base interaction with the oxidized metal complex, in which the transferred halogen atom is bound to a more electro-pos. element. This conclusion derives from DFT studies of the model [Al(OCH₃)₃]_n (n=1,2,3,4) compounds, and on the interaction of Al(OCH₃)₃ with CH₃Cl and with the [Mo(Cp)Cl₃(PH₃)₂] and [RuCl₃(PH₃)₃] complexes.

Chemistry – A European Journal published new progress about 31253-08-4. 31253-08-4 belongs to iodides-buliding-blocks, auxiliary class Iodide,Ester, name is Ethyl 2-Iodopropionate, and the molecular formula is C5H9IO2, Quality Control of 31253-08-4.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Pflegr, Vaclav published the artcile5-Aryl-1,3,4-oxadiazol-2-amines Decorated with Long Alkyl and Their Analogues: Synthesis, Acetyl- and Butyrylcholinesterase Inhibition and Docking Study, SDS of cas: 39115-95-2, the publication is Pharmaceuticals (2022), 15(4), 400, database is CAplus and MEDLINE.

The compounds 5-aryl-1,3,4-oxadiazoles/thiadiazols decorated with dodecyl linked via nitrogen, sulfur or directly to this heterocycle I [R = Ph, 4-MeC₆H₄, 4-tBuC₆H₄, etc.,; X = O, S; Y = NH, S] was designed as potential inhibitors of AChE and BChE. Oxadiazoles/thiadiazols derivatives I were prepared from hydrazides by reaction with dodecyl isocyanate to form hydrazine-1-carboxamides II (yields 67-98%) followed by cyclization using p-toluenesulfonyl chloride and triethylamine in 41-100% yields. The derivatives I were screened for inhibition of AChE and BChE using Ellman’s spectrophotometric method. The compounds I showed a moderate dual inhibition with IC₅₀ values of 12.8-99.2 for AChE and from 53.1μM for BChE. All the heterocycles I were more efficient inhibitors of AChE. The most potent inhibitor, N-dodecyl-5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine I [R =4-pyridyl, X= S, Y = NH] was subjected to advanced reversibility and type of inhibition evaluation. Structure-activity relationships of heterocycles I were identified. Many oxadiazoles I showed lower IC₅₀ values against AChE than established drug rivastigmine. According to mol. docking, the compounds I interact non-covalently with AChE and BChE and block entry into enzyme gorge and catalytic site, resp.

Pharmaceuticals published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, SDS of cas: 39115-95-2.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com