Month: April 2022

SDS of cas: 3411-48-1. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: Tri(naphthalen-1-yl)phosphine, is researched, Molecular C30H21P, CAS is 3411-48-1, about Gold(I)-catalyzed cyclizations of 1,6-enynes: alkoxycyclizations and exo/endo skeletal rearrangements.

Gold(I) complexes are the most active catalysts for alkoxy- or hydroxycyclization and for skeletal rearrangement reactions of 1,6-enynes. Intramol. alkoxycyclizations also proceed efficiently in the presence of gold(I) catalysts. Examples of the skeletal rearrangement of enynes by the endocyclic cyclization pathway are also documented. Iron(III) is also able to catalyze exo and endo skeletal rearrangements of 1,6-enynes, although the scope of this transformation is more limited. The gold(I)-catalyzed endocyclic cyclization proceeds by a mechanism different from those followed in the presence of PdII, HgII, or RhI catalysts.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Synthesis and antiviral activity of a series of novel quinoline derivatives as anti-RSV or anti-IAV agents, published in 2021-03-15, which mentions a compound: 111-24-0, mainly applied to quinoline preparation antiviral activity antiRSV antiIAV agent; Anti-IAV; Anti-RSV; Quinoline derivatives; Structure-activity relationships; Synthesis, Application of 111-24-0.

The synthesis of a series of novel quinoline derivatives, I [R = pyrrolidin-1-yl, methylamino, morpholin-4-yl, etc; R1 = benzyl, adamantan-1-yl, furan-2-ylmethyl, etc; R2 = H; R1R2 = -(CH2)2O(CH2)2-], II (n = 3, 4, 5) based on the lead compound I (R = pyrrolidin-1-yl; R1 = benzyl; R2 = H) (III), identified from a rRSV-mGFP high-throughput screening assay was reported. The results revealed that target compounds I (R = pyrrolidin-1-yl, R1 = 4-fluorobenzyl, R2 = H; R = pyrrolidin-1-yl, R1 = 4-methoxybenzyl, R2 = H; R = pyrrolidin-1-yl, R1 = 3-methoxybenzyl, R2 = H; R = dimethylamino, R1 = benzyl, R2 = H; R = (S)-3-tert-butoxycarbonylaminopyrrolidin-1-yl, R1 = benzyl, R2 = H) (IC50 = 3.10-6.93μM) had good in vitro activity against RSV, which were better than I (R = pyrrolidin-1-yl, R1 = benzyl, R2 = H) and ribavirin. In addition, it is found that compound I (R = 1-tert-butoxycarbonylpiperazin-4-yl, R1 = benzyl, R2 = H) displayed the lower cytotoxicity (CC50: 2490.33μM) and the highest selective index (SI = 673.06), suggest its promising potential as a candidate for further development. On the other hand, some compounds (IC50: 1.87-14.28μM) were more active against IAV than or comparable to ribavirin (IC50: 15.36 ± 0.93μM). Particularly, the most active compound I (R = (S)-3-tert-butoxycarbonylaminopyrrolidin-1-yl, R1 = benzyl, R2 = H) (IC50: 1.87 ± 0.58μM) was found to be 8.2-fold more potent than the reference drug, which could inhibit the virus transcription and replication cycle at an early stage.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1,5-Dibromopentane(SMILESS: BrCCCCCBr,cas:111-24-0) is researched.Reference of 2-Aminoquinazolin-4(3H)-one. The article 《Design, synthesis and biological evaluation of new carbazole-coumarin hybrids as dual binding site inhibitors of acetylcholinesterase》 in relation to this compound, is published in Journal of Molecular Structure. Let’s take a look at the latest research on this compound (cas:111-24-0).

Twelve carbazole-coumarin hybrids I (n = 2, 3, 4, 5; R = H, Me) and II were synthesized and biol. evaluated as dual binding site acetylcholinesterase inhibitors. The compound II (n = 3) had the crystal system of triclinic and the space group of P-1. The cholinesterase inhibitory activity of synthesized compounds I and II was measured using colorimetric Ellman’s method. Compound I [n = 5; R = Me] (III) exhibited good acetylcholinesterase (AChE) inhibitory activity (IC50 value of 6.72μM) and a high selectivity over butyrylcholinesterase (BuChE). Compound II (n = 4) showed the best BuChE inhibitory activity with the IC50 of 0.50μM. The SAR studies revealed that the linker length played a crucial role in determining AChE inhibitory activity and the structure of the coumarin moieties affected the BuChE-inhibition activities of the hybrids. Mol. docking study of compound III indicated that it interacts with the crucial amino acids present at the catalytic active site and peripheral anionic site of AChE. Compound III would be a promising drug candidate to treat AD as a selective and dual binding site inhibitor of AChE.

In some applications, this compound(111-24-0)Formula: C5H10Br2 is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Reference of 2-Aminoquinazolin-4(3H)-one. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 2-Aminoquinazolin-4(3H)-one, is researched, Molecular C8H7N3O, CAS is 20198-19-0, about Crystal Structures of tRNA-guanine Transglycosylase (TGT) in Complex with Novel and Potent Inhibitors Unravel Pronounced Induced-fit Adaptations and Suggest Dimer Formation Upon Substrate Binding. Author is Stengl, Bernhard; Meyer, Emmanuel A.; Heine, Andreas; Brenk, Ruth; Diederich, Francois; Klebe, Gerhard.

The bacterial tRNA-guanine transglycosylase (TGT) is a tRNA modifying enzyme catalyzing the exchange of guanine 34 by the modified base preQ1. The enzyme is involved in the infection pathway of Shigella, causing bacterial dysentery. As no crystal structure of the Shigella enzyme is available the homologous Zymomonas mobilis TGT was used for structure-based drug design resulting in new, potent, lin-benzoguanine-based inhibitors. Thorough kinetic studies show size-dependent inhibition of these compounds resulting in either a competitive or non-competitive blocking of the base exchange reaction in the low micromolar range. Four crystal structures of TGT-inhibitor complexes were determined with a resolution of 1.58-2.1 Å. These structures give insight into the structural flexibility of TGT necessary to perform catalysis. In three of the structures mol. rearrangements are observed that match with conformational changes also noticed upon tRNA substrate binding. Several water mols. are involved in these rearrangement processes. Two of them demonstrate the structural and catalytic importance of water mols. during TGT base exchange reaction. In the fourth crystal structure the inhibitor unexpectedly interferes with protein contact formation and crystal packing. In all presently known TGT crystal structures the enzyme forms tightly associated homodimers internally related by crystallog. symmetry. Upon binding of the fourth inhibitor the dimer interface, however, becomes partially disordered. This result prompted further analyses to investigate the relevance of dimer formation for the functional protein. Consultation of the available TGT structures and sequences from different species revealed structural and functional conservation across the contacting residues. This suggests that bacterial and eukaryotic TGT could possibly act as homodimers in catalysis. It is hypothesized that one unit of the dimer performs the catalytic reaction whereas the second is required to recognize and properly orient the bound tRNA for the catalytic reaction.

In some applications, this compound(20198-19-0)Reference of 2-Aminoquinazolin-4(3H)-one is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Boothello, Rio S.; Sankaranarayanan, Nehru Viji; Afosah, Daniel K.; Karuturi, Rajesh; Al-Horani, Rami A.; Desai, Umesh R. researched the compound: 1,5-Dibromopentane( cas:111-24-0 ).COA of Formula: C5H10Br2.They published the article 《Studies on fragment-based design of allosteric inhibitors of human factor XIa》 about this compound( cas:111-24-0 ) in Bioorganic & Medicinal Chemistry. Keywords: fragment based drug design coagulation factors anticoagulants heparins allosterism; Allosterism; Anticoagulants; Coagulation factors; Fragment-based drug design; Heparins. We’ll tell you more about this compound (cas:111-24-0).

Human factor XIa (hFXIa) has emerged as an attractive target for development of new anticoagulants that promise higher level of safety. Different strategies have been adopted so far for the design of anti-hFXIa mols. including competitive and non-competitive inhibition. Of these, allosteric dysfunction of hFXIa′s active site is especially promising because of the possibility of controlled reduction in activity that may offer a route to safer anticoagulants. In this work, we assess fragment-based design approach to realize a group of novel allosteric hFXIa inhibitors. Starting with our earlier discovery that sulfated quinazolinone (QAO) bind in the heparin-binding site of hFXIa, we developed a group of two dozen dimeric sulfated QAOs with intervening linkers that displayed a progressive variation in inhibition potency. In direct opposition to the traditional wisdom, increasing linker flexibility led to higher potency, which could be explained by computational studies. Sulfated QAO 19S(I) was identified as the most potent and selective inhibitor of hFXIa. Enzyme inhibition studies revealed that 19S utilizes a non-competitive mechanism of action, which was supported by fluorescence studies showing a classic sigmoidal binding profile. Studies with selected mutants of hFXIa indicated that sulfated QAOs bind in heparin-binding site of the catalytic domain of hFXIa. Overall, the approach of fragment-based design offers considerable promise for designing heparin-binding site-directed allosteric inhibitors of hFXIa.

In some applications, this compound(111-24-0)COA of Formula: C5H10Br2 is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Bhattarai, Ajaya; Saha, Bidyut; Jaffari, Zeeshan Haider; Rub, Malik Abdul; Alghamdi, Yousef G.; Kumar, Dileep published the article 《Analysis of interaction between glutamic acid and ninhydrin in the presence of acetate buffer solvent: Impact of gemini (twin-headed) surfactants》. Keywords: glutamic acid ninhydrin acetate buffer gemini surfactant.They researched the compound: 1,5-Dibromopentane( cas:111-24-0 ).Recommanded Product: 111-24-0. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:111-24-0) here.

This study analyses the impact of twin-headed gemini surfactants on the interaction between glutamic acid (Glu) and a ninhydrin (Nin) in an acetate buffer. Analyses were observed using a UV-vis spectrophotometer and values of absorbance were recorded at fixed time intermissions. The impact of parameters such as pH, temperature, [Glu], and [Nin] was examined on reaction in gemini surfactants. Using a conductometric technique, elec. conductivities of pure geminis and their mixed systems were noted. Using these data, thus, cmc values of pure geminis and their mixed system were measured. By varying different parameters, the rate constant (kψ-value) was evaluated on finishing each kinetic run using a computer-based procedure. The study showed that twin-headed gemini surfactants demonstrated an excellent impact on the titled reaction over the aqueous system although 16-4-16 catalyzed the study more among geminis and followed the abilities to catalyze at each concentration as 16-4-16 > 16-5-16 > 16-6-16. Our goal was to assess the impact of varied gemini surfactants on rate constant and thus, a pseudo-phase model for micellar activity was applied. A low pos. value of ΔH# with a large neg. ΔS# was obtained in geminis than for aqueous solutions A probable reaction mechanism is discussed.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Product Details of 3411-48-1. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: Tri(naphthalen-1-yl)phosphine, is researched, Molecular C30H21P, CAS is 3411-48-1, about Multicomponent Reaction of Phosphines, Benzynes, and CO2: Facile Synthesis of Stable Zwitterionic Phosphonium Inner Salts. Author is Xie, Pei; Yang, Shoushan; Guo, Yuyu; Cai, Zhihua; Dai, Bin; He, Lin.

The first synthesis of benzyne-derived stable zwitterions is reported. Benzynes generated in situ from 2-(trimethylsilyl)aryl triflates undergo a multicomponent reaction with phosphines and CO2 to produce the stable 1,5-zwitterionic species in moderate to excellent isolated yields, which provides a novel method for the preparation of phosphonium inner salts, e.g. I, under mild and transition-metal-free conditions.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Computed Properties of C8H7N3O. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2-Aminoquinazolin-4(3H)-one, is researched, Molecular C8H7N3O, CAS is 20198-19-0, about Regioselective synthesis of pyrimido[5,4-c][2,1]benzothiazines by reactions of β-chloroaldehydes with N-C-N binucleophiles. Author is Popov, Kirill; Volovnenko, Tatyana; Turov, Alexander; Volovenko, Yulian.

Pyrimidine ring fusion at the [c] side of benzothiazines by the reaction of 4-chloro-3,4-dihydro-1H-2,1-benzothiazine-3-carboxaldehyde S,S-dioxides with amidines was described. The formation of structural isomers of reaction products was investigated, and the regioselectivity of the heterocyclization was shown. A number of novel pyrimidobenzothiazines were synthesized.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Electron spin resonance studies of the reactions of tri(1-naphthyl)phosphine and its oxide, sulfide, and selenide with alkali metals in tetrahydrofuran and 1,2-dimethoxyethane, published in 1970, which mentions a compound: 3411-48-1, Name is Tri(naphthalen-1-yl)phosphine, Molecular C30H21P, COA of Formula: C30H21P.

Tri(1-naphthyl)phosphine (I) was treated sep. with Li, Na, K, and Na-K alloy in tetrahydrofuran (THF) and in 1,2-dimethoxyethane (DME). In both solvents, the reaction of I with Na gave the naphthalene radical anion (II) while with K (•C10H7)2PK%- (II) was formed. Reduction with Na-K alloy gave a mixture of II and III. The reaction of I with Li gave the 1,1′-binaphthyl radical anion, but when the Li was allowed to react initially with glass and then with I, the perylene radical anion was formed. The oxide, sulfide, and selenide derivatives of I all behaved similarly to I in their reactions with the alkali metals in THF and DME. The ESR spectra of the 1,1′-binaphthyl radical anion were also studied.

In some applications, this compound(3411-48-1)COA of Formula: C30H21P is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Acta Crystallographica, Section E: Structure Reports Online called trans-Carbonylchloridobis[tris(naphthalen-1-yl)phosphane-P]rhodium(I) acetone trisolvate, Author is Meijboom, Reinout, which mentions a compound: 3411-48-1, SMILESS is C1=CC2=C(C=C1)C(=CC=C2)P(C1=CC=CC2=C1C=CC=C2)C1=CC=CC2=C1C=CC=C2, Molecular C30H21P, Related Products of 3411-48-1.

In the title compound, trans-[RhCl{P(C10H7)3}2(CO)].3C3H6O, where P(C10H7)3 is trinaphthylphosphine, the Rh-P bond lengths are 2.3360. The coordination around the Rh atom shows a slightly distorted square-planar arrangement. Crystallog. data and at. coordinates are given.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis