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An optically inactive polyacetylene, poly((4-carboxyphenyl)acetylene) (poly-l), exhibits an induced circular dichroism (ICD) in the UV-visible region upon complexation with chiral amines and amino alcohols in DMSO and in the film, the sign of which reflects the stereochemistry including bulkiness, type (primary, secondary, or tertiary), and absolute configuration of the amines. Therefore, the polyacetylene can be used as a novel probe for determining the chirality of amines. Most primary amines and amino alcohols of the same configuration gave the same sign for the induced Cotton effect; however, secondary and/or tertiary amines used in the present study tended to show Cotton effect signs opposite to those of the primary amines and amino alcohols of the same configuration. The magnitude of the ICD likely increases with an increase in the bulkiness of the chiral amines. The complexation dynamics during the formation of the helical structure of poly-1 with chiral amines were investigated on the basis of the spin-spin relaxation behavior and 1H NMR, CD, and optical rotatory dispersion (ORD) titrations. The complex formation of poly-1 with chiral amines such as 1-(l- naphthyl)ethylamine and 2-amino-l-propanol exhibits a positive nonlinear effect between the enantiomeric excess of the chiral amines and amino alcohols and the observed ellipticity of the Cotton effects. The excess enantiomer bound to poly-1 may induce an excess of a single-handed helix (rightor left-handed helix), which may result in a more intense ICD than that expected from the ee of the amine. Moreover, it was found that the coexistence of achiral amines such as l-aminoethanol also induced an excess of one helical sense of poly-1.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

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Catalysts function by providing an alternate reaction mechanism that has a lower activation energy than would be found in the absence of the catalyst. In some cases, the catalyzed mechanism may include additional steps.In a article, 51207-66-0, molcular formula is C9H18N2, introducing its new discovery. COA of Formula: C9H18N2

A process for preparing an R enantiomer of a compound of the formula (I): STR1 wherein Ar is 3-methoxyphenyl, 3-chlorophenyl, or 1-naphthyl, and X is independently selected from the group consisting of H, F, Cl, Br, I, phenyl, CF3, CF2 H, CFH2, lower alkyl (e.g., Me), O-lower alkyl (e.g., OMe), OCH2 CF3, OH, CN, NO2, C(O)-lower alkyl (e.g., C(O)Me), C(O)O-lower alkyl (e.g., C(O)OMe), C(O)NH-lower alkyl (e.g., C(O)NH–Me), C(O)N-lower alkyl2 (e.g., C(O)NMe2), OC(O)-lower alkyl (e.g., OC(O)Me), and NH–C(O)-lower alkyl (e.g., NH–C(O)Me), where “lower alkyl” is selected from a group consisting of 1 to 6 carbon atoms, and m is an integer between 1 and 5, by asymmetrically and enantioselectively reducing an imine with a reducing agent/chiral auxiliary agent complex so as to produce an enantiomeric excess of R enantiomer of the compound of formula (I) over the S enantiomer of the compound of formula (I). The process is especially useful to produce compounds (R)-(+)-N-[1-(3-methoxyphenyl)ethyl]-3-(2-chlorophenyl)propanamine and (R)-(+)-N-[1-(3-methoxyphenyl)ethyl]-3-(phenyl)propanamine. Enantiomeric excess of the R enantiomer over S enantiomer of greater than 65% have been achieved.

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Metal catalyst and ligand design,
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The present invention provides, inter alia, compounds of formula I as protein kinase modulators, methods of preparing them, pharmaceutical compositions containing them and methods of treatment, prevention and/or amelioration of kinase mediated diseases or disorders with them.

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Reference:
Metal catalyst and ligand design,
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The synthesis and ? receptor affinity of a series of conformationally restricted derivatives of 2-(1-pyrrolidinyl)-N-<2-(3,4-dichlorophenyl)ethyl>-N-methylethylenediamine (1) is described.The pyrrolidinyl (or N,N-dialkyl), ethylenediamine, N-alkyl, and phenylethyl portions of this ? receptor pharmacophore were restricted by its incorporation into 1,2-cyclohexanediamine-, pyrrolidine-, piperidine-, homopiperidine-, and tetrahydroisoquinoline-containing ligands.The ? receptor binding affinities of these compounds were determined using <3H>(+)-pentazocine in guinea pig brain homogenates.The synthesis of all but one class was achieved by acylation and alane reduction of the appropriate diamine precursors whose synthesis is also reported. ? receptor affinities ranged from 1.34 nM for 6,7-dichloro-2-<2-(1-pyrrolidinyl)ethyl>tetrahydroisoquinoline (12) to 455 nM for (1R,2R)-trans-N-<2-(3,4-dichlorophenyl)ethyl>-N-methyl-2-(1-pyrrolidinyl)cyclohexylamine <(-)-4>.In this displacement assay, (+)-pentazocine exhibited a Ki of 3.1 nM while DTG and haloperidol showed Ki values of 27.7 and 3.7 nM, respectively.The conformationally free parent compound 1 exhibited a Ki value of 2.1 nM.Comparison of both the ? receptor affinities and nitrogen atom geometry of the compounds revealed that a gauche relation of the nitrogen atoms of cis-1,2-cyclohexanediamines is not imperative for high affinity as we had previously thought.It is highly likely that nitrogen lone pair orientations and steric factors on the aliphatic portions of these ligands play a major role in the ? receptor binding of this pharmacophore.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

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A stereochemical divergent approach for the highly enantioselective synthesis of distinct bicyclic products with multiple stereocenters from a racemate using a single chiral catalyst is disclosed. It is based on switches of the overall reaction pathways in the chiral amine-catalyzed cascade reactions between racemic gamma-nitro ketones and a,b-unsaturated aldehydes using different achiral co-catalysts. The utility of the method is exemplified by the highly diasteroselective switch and stereoconvergent deracemization process by combination of chiral amine and achiral hydrogen-bond-donating catalysts.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

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Since the early 2000s, the Aurora kinases have become major targets of oncology drug discovery particularly Aurora-A and Aurora-B kinases (AKA/AKB) for which the selective inhibition in cells lead to different phenotypes. In addition to targeting these Aurora kinases involved in mitosis, CDK1 has been added as a primary inhibition target in hopes of enhancing the cytotoxicity of our chemotypes harboring the pyrazolopyrimidine core. SAR optimization of this series using the AKA, AKB and CDK1 biochemical assays led to the discovery of the compound 7h which combines strong potency against the 3 kinases with an acceptable microsomal stability. Finally, switching from a primary amide to a two-substituted pyrrolidine amide gave rise to compound 15a which exhibited the desired AKA/CDK1 inhibition phenotype in cells but showed moderate activity in animal models using HCT116 tumor cell lines.

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Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

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The present invention provides compounds according to Formulas I, II, III, IV, V, VI, VII or VIII; their use as H3 antagonists/inverse agonists, processes for their preparation, and pharmaceutical compositions thereof

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

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Dysregulation of the anaplastic lymphoma kinase (ALK) is implicated in a variety of cancers. A series of tetrahydropyrido[2,3-b]pyrazines was constructed as ring-constrained analogs of a known aminopyridine kinase scaffold. Chemistry was developed to rapidly elaborate the SAR, structural elements impacting ALK inhibitory activity were exploited, and kinase selective analogs were identified that inhibit ALK with IC50 values ?10 nM (enzyme) and ?150 nM (cell).

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Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

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The direct synthesis of the cyclic sulphamidate of (S)-prolinol: Simultaneous N-protection and activation towards nucleophilic displacement of oxygen

The preparation of the cyclic sulphamidate of (S)-prolinol has been achieved by reaction with sulphuryl chloride at low temperature. This material has been shown to be susceptible to acid catalysed nucleophilic attack to furnish 2-(N,N-dialkylamino)methyl- and 2-(methoxymethyl)pyrrolidines after hydrolysis of the intermediate sulphamic acid derivatives.

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Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

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C-3 NOVEL TRITERPENONE WITH C-28 AMIDE DERIVATIVES AS HIV INHIBITORS

The invention relates to C-3 novel triterpenone with C-28 amide derivatives, related compounds, and pharmaceutical compositions useful for the therapeutic treatment of viral diseases and particularly HIV mediated diseases (formula 1).

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI