Month: March 2021

In heterogeneous catalysis, the catalyst is in a different phase from the reactants. Recommanded Product: 1745-07-9, At least one of the reactants interacts with the solid surface in a physical process called adsorption in such a way. 1745-07-9, name is 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline. In an article£¬Which mentioned a new discovery about 1745-07-9

Structure-function studies of tetrahydroprotoberberine N-methyltransferase reveal the molecular basis of stereoselective substrate recognition

Benzylisoquinoline alkaloids (BIAs) are a structurally diverse class of plant-specialized metabolites that have been particularly well-studied in the order Ranunculales. The N-methyltransferases (NMTs) in BIA biosynthesis can be divided into three groups according to substrate specificity and amino acid sequence. Here, we report the first crystal structures of enzyme complexes from the tetrahydroprotoberberine NMT (TNMT) subclass, specifically for GfTNMT from the yellow horned poppy (Glaucium flavum). GfTNMT was co-crystallized with the cofactor S-adenosyl-L-methionine (dmin = 1.6 A ), the product S-adenosyl-L-homocysteine (dmin = 1.8 A ), or in complex with S-adenosyl-L-homocysteine and (S)-cis-N-methylstylopine (dmin = 1.8 A ). These structures reveal for the first time how a mostly hydrophobic L-shaped substrate recognition pocket selects for the (S)-cis configuration of the two central six-membered rings in protoberberine BIA compounds. Mutagenesis studies confirm and functionally define the roles of several highly- conserved residues within and near the GfTNMT-active site. The substrate specificity of TNMT enzymes appears to arise from the arrangement of subgroup-specific stereospecific recognition elements relative to catalytic elements that are more widely-conserved among all BIA NMTs. The binding mode of protoberberine compounds to GfTNMTappears to be similar to coclaurine NMT, with the isoquinoline rings buried deepest in the binding pocket. This binding mode differs from that of pavine NMT, in which the benzyl ring is bound more deeply than the isoquinoline rings. The insights into substrate recognition and catalysis provided here form a sound basis for the rational engineering ofNMTenzymes for chemoenzymatic synthesis and metabolic engineering.

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Reference£º
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Reference of 149355-52-2, Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics.In a document type is Article, and a compound is mentioned, 149355-52-2, 1,2,3,4-Tetrahydroisoquinoline-7-carbonitrile, introducing its new discovery.

Synthesis, biochemical evaluation, and classical and three-dimensional quantitative structure-activity relationship studies of 7-substituted- 1,2,3,4-tetrahydroisoquinolines and their relative affinities toward phenylethanolamine N-methyltransferase and the alpha2-adrenoceptor

7-Substituted-1,2,3,4-tetrahydroisoquinolines (7-substituted-THIQs) are potent inhibitors of phenylethanolamine N-methyltransferase (PNMT, EC 2.1.1.28), the enzyme involved in the biosynthesis of epinephrine. Unfortunately, most of these compounds also exhibit strong affinity for the alpha2-adrenoceptor. To design a selective (PNMT vs alpha2-adrenoceptor affinity) inhibitor of PNMT, the steric and electrostatic factors responsible for PNMT inhibitory activity and alpha2-adrenoceptor affinity were investigated by evaluating a number of 7-substituted-THIQs. A classical quantitative structure-activity relationship (QSAR) study resulted in a three-parameter equation for PNMT (PNMT pK(i) = 0.599pi – 0.0725MR + 1.55sigma(m) + 5.80; n = 27, r = 0.885, s = 0.573) and a three-parameter equation for the alpha2- adrenoceptor (alpha2 pK(i) = 0.599pi – 0.0542MR – 0.951sigma(m) + 6.45; n = 27, r = 0.917, s = 0.397). These equations indicated that steric effects and lipophilicity play a similar role at either active site but that electronic effects play opposite roles at either active site. Two binding orientations for the THIQs were postulated such that lipophilic and hydrophilic 7- substituents would not occupy the same region of space at either binding site. Using these two binding orientations, based on the lipophilicity of the 7-substituent, comparative molecular field analysis (CoMFA) models were developed that showed that the steric and electrostatic interactions at both sites were similar to those previously elaborated in the QSAR analyses. Both the QSAR and the CoMFA analyses showed that the steric interactions are similar at the PNMT active site and at the alpha2-adrenoceptor and that the electrostatic interactions were different at the two sites. This difference in electrostatic interactions might be responsible for the selectivity of THIQs bearing a nonlipophilic electron-withdrawing group at the 7-position. These QSAR and CoMFA results will be useful in the design of potent and selective (PNMT vs alpha2-adrenoceptor affinity) inhibitors of PNMT.

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Reference£º
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

In homogeneous catalysis, the catalyst is in the same phase as the reactant. The number of collisions between reactants and catalyst is at a maximum.In a patent, 1745-07-9, name is 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline, introducing its new discovery. category: tetrahydroisoquinoline

Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors

Drug design efforts in the emerging 2-aminothiazole-4-carboxamide class of CHK1 inhibitors have uncovered specific combinations of key substructures within the molecule; resulting in significant improvements in cell-based activity while retaining a greater than one hundred-fold selectivity against CDK2. The X-ray crystal structure of a complex between compound 39 and the CHK1 protein detailing a ‘U-shaped’ topology and key interactions with the protein surface at the ATP site is also reported.

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Reference£º
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

1745-07-9, Name is 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline, belongs to tetrahydroisoquinoline compound, is a common compound. Product Details of 1745-07-9In an article, once mentioned the new application about 1745-07-9.

Photocatalytic deaminative benzylation and alkylation of tetrahydroisoquinolines with N-alkylpyrydinium salts

A ruthenium-catalyzed photoredox coupling of substituted N-aryltetrahydroisoquinolines (THIQs) and different bench-stable pyridinium salts was successfully developed to give fast access to 1-benzyl-THIQs. Furthermore, secondary alkyl and allyl groups were also successfully introduced via the same method. Additionally, the typically applied N-phenyl group in the THIQ substrate could be replaced by the cleavable p-methoxyphenyl (PMP) group and successful N-deprotection was demonstrated.

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Reference£º
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Related Products of 1745-07-9, A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 1745-07-9, Name is 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline, molecular formula is C11H15NO2. In a Article£¬once mentioned of 1745-07-9

Ruthenium-catalysed Oxidation of Secondary Amines to Imines using t-Butyl Hydroperoxide

The ruthenium-catalysed oxidation of secondary amines with t-butyl hydroperoxide under mild conditions affords the corresponding imines in high yields.

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Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Related Products of 61563-33-5, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.61563-33-5, Name is 8-Chloro-1,2,3,4-tetrahydroisoquinoline hydrochloride, molecular formula is C9H11Cl2N. In a Article£¬once mentioned of 61563-33-5

Synthesis of novel thieno[3,2-b]quinolines and thieno[3,2-d][1,3]thiazoles

New heterocyclic 2-Aryl-9-chloro-5,6,7,8-tetrahydrothieno[3,2-b]quinoline derivatives [Aryl-CTTQ] (2a-e) and 5-arylthieno[3,2-d][1,3]thiazol-2-amine derivatives[Aryl-TZA] (6a-e)were achieved in good yields starting from 5-aryl-3-aminothiophene-2-carboxylic acid (1a-c).

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Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Electric Literature of 149355-52-2, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.149355-52-2, Name is 1,2,3,4-Tetrahydroisoquinoline-7-carbonitrile, molecular formula is C10H10N2. In a Patent£¬once mentioned of 149355-52-2

OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS

The invention provides compounds of Formula (I) for the treatment of multiple sclerosis and other diseases.

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Reference£º
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, Product Details of 1745-07-9, such as the rate of change in the concentration of reactants or products with time.In a article, mentioned the application of 1745-07-9, Name is 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline, molecular formula is C11H15NO2

Total synthesis of (+)-yatakemycin

A convergent total synthesis of (+)-yatakemycin was accomplished in a 20-step sequence in an overall yield of 13%. The synthesis features the regioselective ring opening of (S)-epichlorohydrin with 2,6-dibromophenyllithium species, the mild copper-mediated aryl amination utilizing the combination of CuI and CsOAc, and the efficient deprotection of benzyl groups of aryl benzyl ether with BCl3 in the presence of pentamethylbenzene. Copyright

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Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Synthetic Route of 1745-07-9, A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 1745-07-9, Name is 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline, molecular formula is C11H15NO2. In a Article£¬once mentioned of 1745-07-9

Multicomponent Reaction for the Synthesis of 5,6-Dihydropyrrolo[2,1- a]isoquinolines

A multicomponent reaction between isatin, tetrahydroisoquinoline, and terminal alkyne in the presence of benzoic acid for the synthesis of N-(substituted-2-(2-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamides is described. This three-component reaction proceeds via sequential formation of spirooxindole, generation of isocyanate functionality via cleavage of the C2-C3 bond in the isatin subunit of spirooxindole, and addition of the second molecule of tetrahydroisoquinoline to the isocyanate group to offer title compounds. Expansion of the protocol to four-component by including an additional primary amine affords 1-substituted-3-(2-(2-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)phenyl)urea in low to moderate yields. However, the reaction of intermediate spirooxindole with tetrahydroisoquinoline or any primary or secondary amine produced the title compound in excellent yields.

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Reference£º
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Related Products of 22990-19-8, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.22990-19-8, Name is 1-Phenyl-1,2,3,4-tetrahydroisoquinoline, molecular formula is C15H15N. In a Patent£¬once mentioned of 22990-19-8

A (S)-1 – phenyl – 1, 2, 3, 4 – tetrahydroisoquinoline preparation method and its preparation method (by machine translation)

The invention relates to a medicine intermediate, in particular to a (S)- 1 – phenyl – 1, 2, 3, 4 – tetrahydroisoquinoline preparation method; the benzoyl chloride or benzoic acid, phenethylamine, alkali metal hydroxide is mixed with water to the reaction, a proportion of N – (2 – phenylethyl) benzamide, phosphorus pentoxide, phosphorus chloride mixed with organic solvent is heating, the obtained 1 – phenyl – 3, 4 – ISO-quinoline with the 1st alcohol solvent, borohydride mixed reaction, the obtained 1 – phenyl – 1, 2, 3, 4 – ISO-quinoline with the 2nd alcohol solvent, water, D – tartaric acid mixing, heating the reaction, the obtained (S)- 1 – phenyl – 1, 2, 3, 4 – tetrahydroisoquinoline tartrate with an alkali metal hydroxide, water mixing, to obtain the target product; the invention provides (S)- 1 – phenyl – 1, 2, 3, 4 – tetrahydroisoquinoline preparation method has the preparation method, operation and the advantages of the simple post-treatment. (by machine translation)

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Reference£º
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem