Day: October 26, 2021

An article Optimization of norbornyl-based carbocyclic nucleoside analogs as cyclin-dependent kinase 2 inhibitors WOS:000549952000002 published article about SCORING FUNCTION; SMALL MOLECULES; ROSCOVITINE; POTENT; IDENTIFICATION; SITE in [Kopruluoglu, Cemal; Dejmek, Milan; Sala, Michal; Ajani, Haresh; Hrebabecky, Hubert; Fanfrlik, Jindrich; Dracinsky, Martin; Prochazkova, Eliska; Sacha, Pavel; Hobza, Pavel; Lepsik, Martin; Nencka, Radim] Czech Acad Sci, Inst Organ Chem & Biochem, Flemingovo Nam 2, Prague 16610 6, Czech Republic; [Kopruluoglu, Cemal; Ajani, Haresh; Hobza, Pavel] Palacky Univ, Reg Ctr Adv Technol & Mat, Dept Phys Chem, Olomouc, Czech Republic; [Jorda, Radek; Krystof, Vladimir] Palacky Univ, Fac Sci, Lab Growth Regulators, Olomouc, Czech Republic; [Jorda, Radek; Krystof, Vladimir] Czech Acad Sci, Inst Expt Bot, Olomouc, Czech Republic in 2020, Cited 45. The Name is 1,4-Dioxa-8-azaspiro[4.5]decane. Through research, I have a further understanding and discovery of 177-11-7. Computed Properties of C7H13NO2

We report on the discovery of norbornyl moiety as a novel structural motif for cyclin-dependent kinase 2 (CDK2) inhibitors which was identified by screening a carbocyclic nucleoside analogue library. Three micromolar hits were expanded by the use of medicinal chemistry methods into a series of 16 novel compounds. They had prevailingly micromolar activities against CDK2 and the best compound of the series attained IC(50)of 190 nM. The binding modes were explored in molecular details by modeling and docking. Quantum mechanics-based scoring was used to rationalize the affinities. In conclusion, the discovered 9-hydroxymethylnorbornyl moiety was shown by joint experimental-theoretical efforts to be able to serve as a novel substituent for CDK2 inhibitors. This finding opens door to the exploration of chemical space towards more effective derivatives targeting this important class of protein kinases.

Computed Properties of C7H13NO2. About 1,4-Dioxa-8-azaspiro[4.5]decane, If you have any questions, you can contact Kopruluoglu, C; Dejmek, M; Sala, M; Ajani, H; Hrebabecky, H; Fanfrlik, J; Jorda, R; Dracinsky, M; Prochazkova, E; Sacha, P; Krystof, V; Hobza, P; Lepsik, M; Nencka, R or concate me.

Reference：
Piperidine – Wikipedia,
Piperidine | C5H7510N – PubChem

Product Details of 177-11-7. I found the field of Biochemistry & Molecular Biology; Chemistry very interesting. Saw the article 6-Substituted purines as ROCK inhibitors with anti-metastatic activity published in 2019, Reprint Addresses Voller, J (corresponding author), Czech Acad Sci, Inst Expt Bot, Lab Growth Regulators, Slechtitelu 27, CZ-78371 Olomouc, Czech Republic.; Voller, J (corresponding author), Palacky Univ, Slechtitelu 27, CZ-78371 Olomouc, Czech Republic.. The CAS is 177-11-7. Through research, I have a further understanding and discovery of 1,4-Dioxa-8-azaspiro[4.5]decane.

Rho-associated serine/threonine kinases (ROCKs) are principal regulators of the actin cytoskeleton that regulate the contractility, shape, motility, and invasion of cells. We explored the relationships between structure and anti-ROCK2 activity in a group of purine derivatives substituted at the C6 atom by piperidin-1-yl or azepan-1-yl groups. Structure-activity relationship (SAR) analyses suggested that anti-ROCK activity is retained, and may be further increased, by substitution of the parent compounds at the C2 atom or by expansion of the C6 side chain. These inhibitors of ROCK can reach effective concentrations within cells, as demonstrated by a decrease in phosphorylation of the ROCK target MLC, and by inhibition of the ROCK-dependent invasion of melanoma cells in the collagen matrix. Our study may be useful for further optimization of C6-substituted purine inhibitors of ROCKs and of other sensitive kinases identified by the screening of a broad panel of protein kinases.

Product Details of 177-11-7. About 1,4-Dioxa-8-azaspiro[4.5]decane, If you have any questions, you can contact Voller, J; Zahajska, L; Plihalova, L; Jerabkova, J; Burget, D; Pataki, AC; Krystof, V; Zatloukal, M; Brabek, J; Rosel, D; Mik, V; Tkac, M; Pospisil, T; Gucky, T; Dolezal, K; Strnad, M or concate me.

Reference：
Piperidine – Wikipedia,
Piperidine | C5H7510N – PubChem

Zhao, JP; Ding, LJ; Wang, PC; Liu, Y; Huang, MJ; Zhou, XL; Lu, M in [Zhao, Ji-Ping; Ding, Lu-jia; Wang, Peng-Cheng; Liu, Ying; Huang, Min-Jun; Zhou, Xin-Li; Lu, Ming] Nanjing Univ Sci & Technol, Sch Chem Engn, Nanjing 210094, Jiangsu, Peoples R China published Electrochemical Nonacidic N-Nitrosation/N-Nitration of Secondary Amines through a Biradical Coupling Reaction in 2020, Cited 54. Quality Control of 1,4-Dioxa-8-azaspiro[4.5]decane. The Name is 1,4-Dioxa-8-azaspiro[4.5]decane. Through research, I have a further understanding and discovery of 177-11-7.

An acid-free N-nitrosation/nitration of the N-H bonds in secondary amines with Fe(NO3)(3)center dot 9H(2)O as the nitroso/nitro source through an electrocatalyzed radical coupling reaction was developed. Cyclic aliphatic amines and N-heteroaromatic compounds were N-nitrosated and N-nitrated, respectively, under mild conditions. Control and competition experiments, as well as kinetic studies, demonstrate that N-nitrosation and N-nitration involve two different radical reaction pathways involving N+ and N-center dot radicals. Moreover, the electrocatalysis method enables the preferential activation of the N-H bond over the electrode and thus provides high selectivity for specific N atoms. Finally, this strategy exhibits a broad scope and provides a green and straightforward approach to generate useful N-nitroso/nitro compounds in good yields.

About 1,4-Dioxa-8-azaspiro[4.5]decane, If you have any questions, you can contact Zhao, JP; Ding, LJ; Wang, PC; Liu, Y; Huang, MJ; Zhou, XL; Lu, M or concate me.. Quality Control of 1,4-Dioxa-8-azaspiro[4.5]decane

Reference：
Piperidine – Wikipedia,
Piperidine | C5H7510N – PubChem

Authors Schuppe, AW; Knippel, JL; Borrajo-Calleja, GM; Buchwald, SL in AMER CHEMICAL SOC published article about in [Schuppe, Alexander W.; Knippel, James Levi; Borrajo-Calleja, Gustavo M.; Buchwald, Stephen L.] MIT, Dept Chem, Cambridge, MA 02139 USA in 2021, Cited 56. Recommanded Product: 177-11-7. The Name is 1,4-Dioxa-8-azaspiro[4.5]decane. Through research, I have a further understanding and discovery of 177-11-7

The catalytic enantioselective synthesis of a-chiral olefins represents a valuable strategy for rapid generation of structural diversity in divergent syntheses of complex targets. Herein, we report a protocol for the dual CuH- and Pd-catalyzed asymmetric Markovnikov hydroalkenylation of vinyl arenes and the anti-Markovnikov hydroalkenylation of unactivated olefins, in which readily available enol triflates can be utilized as alkenyl coupling partners. This method allowed for the synthesis of diverse alpha-chiral olefins, including tri- and tetrasubstituted olefin products, which are challenging to prepare by existing approaches.

About 1,4-Dioxa-8-azaspiro[4.5]decane, If you have any questions, you can contact Schuppe, AW; Knippel, JL; Borrajo-Calleja, GM; Buchwald, SL or concate me.. Recommanded Product: 177-11-7

Reference：
Piperidine – Wikipedia,
Piperidine | C5H7510N – PubChem

Authors Zhang, YJ; Su, JY; Niu, WJ; Li, YJ in WILEY-V C H VERLAG GMBH published article about ALKENE DIAMINATION; ASYMMETRIC DIAMINATION; CATALYZED DIAMINATION; VICINAL DIAMINES; SECONDARY-AMINES; CHIRAL DIAMINES; REAGENTS; 1,2-DIAMINATION; PALLADIUM; DERIVATIVES in [Zhang, YongJian; Su, Junyi; Niu, Wenjie; Li, Yujin] Zhejiang Univ Technol, Dept Chem & Chem Engn, State Key Lab Breeding Base Green Chem Synth Tech, Hangzhou 310032, Zhejiang, Peoples R China in 2019, Cited 56. Application In Synthesis of 1,4-Dioxa-8-azaspiro[4.5]decane. The Name is 1,4-Dioxa-8-azaspiro[4.5]decane. Through research, I have a further understanding and discovery of 177-11-7

Iodine-promoted direct diamination of ,-unsaturated ketone to form two C-N bonds has been developed starting from chalcone and secondary amine. This reaction was performed in THF at 50 degrees C in the presence of I-2 and K2CO3. The protocol is metal-free, operationally simple and carried out under mild conditions, providing an effective new way for directing diamination reactions.

About 1,4-Dioxa-8-azaspiro[4.5]decane, If you have any questions, you can contact Zhang, YJ; Su, JY; Niu, WJ; Li, YJ or concate me.. Application In Synthesis of 1,4-Dioxa-8-azaspiro[4.5]decane

Reference：
Piperidine – Wikipedia,
Piperidine | C5H7510N – PubChem

Authors Guerrero, M; Urbano, M; Kim, EK; Gamo, AM; Riley, S; Abgaryan, L; Leaf, N; Van Orden, LJ; Brown, SJ; Xie, JY; Porreca, F; Cameron, MD; Rosen, H; Roberts, E in AMER CHEMICAL SOC published article about AGONIST SALVINORIN; PROLACTIN; DYNORPHIN; LY2456302; DOPAMINE; STRESS; 2-METHYL-N-((2′-(PYRROLIDIN-1-YLSULFONYL)BIPHENYL-4-YL)METHYL)PROPAN-1-AMINE; EXPRESSION; DISCOVERY; BINDING in [Guerrero, Miguel; Urbano, Mariangela; Kim, Eun-Kyong; Gamo, Ana M.; Riley, Sean; Abgaryan, Lusine; Leaf, Nora; Brown, Steven J.; Rosen, Hugh; Roberts, Edward] Scripps Res Inst, Dept Mol Med, 10550 North Torrey Pines Rd, La Jolla, CA 92037 USA; [Van Orden, Lori Jean] BlackThorn Therapeut Inc, 780 Brannan St, San Francisco, CA 94103 USA; [Xie, Jennifer Y.; Porreca, Frank] Univ Arizona, Dept Pharmacol, Tucson, AZ 85724 USA; [Cameron, Michael D.] Scripps Res Inst, Dept Mol Med, Jupiter, FL 33458 USA; [Xie, Jennifer Y.] Arkansas State Univ, Coll Osteopath Med, New York Inst Technol, Dept Basic Sci, Jonesboro, AR 72446 USA in 2019, Cited 47. Product Details of 177-11-7. The Name is 1,4-Dioxa-8-azaspiro[4.5]decane. Through research, I have a further understanding and discovery of 177-11-7

kappa opioid receptor (KOR) antagonists are potential pharmacotherapies for the treatment of migraine and stress-related mood disorders including depression, anxiety, and drug abuse, thus the development of novel KOR antagonists with an improved potency/selectivity profile and medication-like duration of action has attracted the interest of the medicinal chemistry community. In this paper, we describe the discovery of 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-N-(tetrahydro-2 H-pyran-4-yl)piperidin-4 amine (CYM-53093, BTRX-335140) as a potent and selective KOR antagonist, endowed with favorable in vitro ADMET and in vivo pharmacokinetic profiles and medication-like duration of action in rat pharmacodynamic experiments. Orally administered CYM-53093 showed robust efficacy in antagonizing KOR agonist-induced prolactin secretion and in tail-flick analgesia in mice. CYM-53093 exhibited a broad selectivity over a panel of off-target proteins. This compound is in phase 1 clinical trials for the treatment of neuropsychiatric disorders wherein dynorphin is thought to contribute to the underlying pathophysiology.

About 1,4-Dioxa-8-azaspiro[4.5]decane, If you have any questions, you can contact Guerrero, M; Urbano, M; Kim, EK; Gamo, AM; Riley, S; Abgaryan, L; Leaf, N; Van Orden, LJ; Brown, SJ; Xie, JY; Porreca, F; Cameron, MD; Rosen, H; Roberts, E or concate me.. Product Details of 177-11-7

Reference：
Piperidine – Wikipedia,
Piperidine | C5H7510N – PubChem

I found the field of Chemistry very interesting. Saw the article Synthesis of alpha-Trifluoromethylamines by Cu-Catalyzed Regio- and Enantioselective Hydroamination of 1-Trifluoromethylaikenes published in 2019. Recommanded Product: 177-11-7, Reprint Addresses Hirano, K; Miura, M (corresponding author), Osaka Univ, Grad Sch Engn, Dept Appl Chem, Suita, Osaka 5650871, Japan.. The CAS is 177-11-7. Through research, I have a further understanding and discovery of 1,4-Dioxa-8-azaspiro[4.5]decane

A copper-catalyzed regioselective net hydroamination of 1-trifluoromethylalkenes with hydrosilanes and hydroxylamines has been developed. The judicious choice of ligand and additive suppresses the conceivable but undesired beta-F elimination of an alpha-CF3-substituted organocopper intermediate, leading to targeted alpha-trifluoromethylamines in good yields with excellent regioselectivity. Additionally, with an appropriate chiral bisphosphine ligand, the enantioselective reaction is also possible to deliver optically active alpha-trifluoromethylamines of high potential in medicinal and pharmaceutical chemistry.

Recommanded Product: 177-11-7. About 1,4-Dioxa-8-azaspiro[4.5]decane, If you have any questions, you can contact Takata, T; Hirano, K; Miura, M or concate me.

Reference：
Piperidine – Wikipedia,
Piperidine | C5H7510N – PubChem

SDS of cas: 177-11-7. In 2021 ORG BIOMOL CHEM published article about N-ACYL KETIMINES; ASYMMETRIC-SYNTHESIS; ENANTIOSELECTIVE SYNTHESIS; 1,3-DISUBSTITUTED ISOINDOLINES; STEREOSELECTIVE-SYNTHESIS; CATALYZED ARYLATION; MICHAEL REACTIONS; DIRECTING GROUP; 3+2 ANNULATION; ACTIVATION in [Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping] Zhengzhou Univ, Green Catalysis Ctr, Coll Chem, Zhengzhou 450001, Peoples R China in 2021, Cited 104. The Name is 1,4-Dioxa-8-azaspiro[4.5]decane. Through research, I have a further understanding and discovery of 177-11-7.

A new method for the direct and stereoselective synthesis of 3-substituted isoindolinones via Rh(iii)-catalyzed chiral N-sulfinyl amide directed asymmetric [4 + 1] annulation of benzamides with acrylic esters has been developed. The reaction proceeded through an oxidative C-H olefination and a subsequent cyclization by intramolecular aza-Michael addition, producing a series of diastereoisomeric chiral isoindolinones (20 examples) in generally good yields with a dr value up to 5.5 : 1. The absolute configurations of the newly formed C-stereocenters in the major and minor diastereomers of the catalysis product have been determined by X-ray crystal diffraction analysis to be S and R, respectively. The separation of the major diastereoisomers from the catalysis products and subsequent removal of the N-sulfinyl chiral auxiliary afforded enantiomerically pure (S)-isoindolinones. The application of the obtained (S)-isoindolinones in the synthesis of several biologically active isoindolinones such as (S)-PD172938, (S)-pazinaclone and (S)-pagoclone is presented.

SDS of cas: 177-11-7. About 1,4-Dioxa-8-azaspiro[4.5]decane, If you have any questions, you can contact Li, XH; Gong, JF; Song, MP or concate me.

Reference：
Piperidine – Wikipedia,
Piperidine | C5H7510N – PubChem

Name: 1,4-Dioxa-8-azaspiro[4.5]decane. In 2020 ORG LETT published article about BINAPHTHOL DERIVATIVES; C(SP(3))-H BONDS; ARENES; HYDROXYLATION; C(SP(2))-H; FUNCTIONALIZATION; MECHANISM; MILD in [Cheng, Tai-Jin; Xu, Hui; Dai, Hui-Xiong] Chinese Acad Sci, Shanghai Inst Mat Med, Key Lab Receptor Res, Shanghai 201203, Peoples R China; [Dai, Hui-Xiong] Peking Univ, State Key Lab Nat & Biomimet Drugs, Beijing 100191, Peoples R China; [Cheng, Tai-Jin; Dai, Hui-Xiong] Univ Chinese Acad Sci, Beijing 100049, Peoples R China; [Wu, Peng; Lin, Hai-Xia] Shanghai Univ, Innovat Drug Res Ctr, Dept Chem, Shanghai 200444, Peoples R China; [Huang, Wei] Nanchang Univ, Sch Pharm, Nanchang 330006, Jiangxi, Peoples R China in 2020, Cited 56. The Name is 1,4-Dioxa-8-azaspiro[4.5]decane. Through research, I have a further understanding and discovery of 177-11-7.

A copper-catalyzed oxalamide-directed ortho-C-H amination of anilines has been developed by using 1 atm of air as the sole oxidant. The protocol shows excellent functional group tolerance, and some heterocyclic amines including indole, benzothiophene, benzothiazole, quinoline, isoquinoline, and quinoxaline could be compatible in the reaction. The late-stage diversification of medicinal drugs demonstrates the synthetic utility of this protocol.

About 1,4-Dioxa-8-azaspiro[4.5]decane, If you have any questions, you can contact Wu, P; Huang, W; Cheng, TJ; Lin, HX; Xu, H; Dai, HX or concate me.. Name: 1,4-Dioxa-8-azaspiro[4.5]decane

Reference：
Piperidine – Wikipedia,
Piperidine | C5H7510N – PubChem

An article Metal-Free Cyclocarboamination of ortho-Formyl Phenylacetylenes with Secondary Amines: Access to 1,3-Diamino-1H-Indenes and 3-Amino-1-Indanones WOS:000457795500026 published article about CATALYZED HYDROAMINATION; INTERNAL ALKYNES; H BONDS; CARBOAMINATION; ALKENES; GENERATION; ACID; HETEROCYCLES; CYCLIZATION; INSERTION in [Cui, Jian-Fang; Tang, Rishi; Yang, Bin; Lai, Nathanael Chun-Him; Jiang, Jia-Jun; Deng, Jie-Ren; Wong, Man-Kin] Hong Kong Polytech Univ, State Key Lab Chem Biol & Drug Discovery, Dept Appl Biol & Chem Technol, Hong Kong, Peoples R China; [Cui, Jian-Fang] Southern Univ Sci & Technol, Dept Chem, Shenzhen, Peoples R China in 2019, Cited 62. The Name is 1,4-Dioxa-8-azaspiro[4.5]decane. Through research, I have a further understanding and discovery of 177-11-7. Formula: C7H13NO2

This work first discloses a new strategy for amine activation to give reactive amine anion by in situ generated iminium cation-amine anion pair through decomposition of sterically hindered aminals. Utilizing this strategy, a highly regio- and chemoselective cyclocarboamination of ortho-formyl phenylacetylenes with secondary amines has been realized under metal-free mild reaction conditions. The cyclocarboamination with notably tunable product profiles depends on the separation and purification procedure, a diverse range of 1, 3-diamino-1H-indenes (essentially reactive enamines) and 3-amino-1-indanones were obtained, respectively. Moreover, using iodine as an electrophile to couple with various ortho-formyl phenylacetylenes and secondary amines, a series of 3-amino-2-iodo-1-indanones were efficiently achieved with four bonds (C=O, C-C, C-N and C-I) formation in an one-pot three-component reaction. These results demonstrated an unprecedented methodology for the construction of highly functionalized 1H-indene and 1-indanone compounds.

Formula: C7H13NO2. About 1,4-Dioxa-8-azaspiro[4.5]decane, If you have any questions, you can contact Cui, JF; Tang, RS; Yang, B; Lai, NCH; Jiang, JJ; Deng, JR; Wong, MK or concate me.

Reference：
Piperidine – Wikipedia,
Piperidine | C5H7510N – PubChem