CAS: 486460-32-6; (R)-3-Amino-1-(3-(Trifluoromethyl)-5,6-Dihydro-[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-yl)-4-(2,4,5-Trifluorophenyl)Butan-1-One

上下游产品

CAS号486460-23-5 (R)-(4-氧代-4-(3-... | CAS号767340-03-4 (2Z)-4-氧代-4-[3-... | CAS号764667-65-4 (2Z)-4-氧代-4-[3-... | CAS号1404380-73-9 (S)-benzyl (1,4... | CAS号823817-58-9 西他列汀(S)-异构体磷酸盐 | CAS号1380521-88-9 (R,R)-N-benzyl-... | CAS号764667-65-4 (2Z)-4-氧代-4-[3-... | CAS号654671-77-9 磷酸西他列汀

Boc-(R)-3-氨基-4-(2,4,5-三氟苯基)丁酸置于盐酸,1-羟基苯并三唑,盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺,N,N-二异丙基乙胺体系中,用 水,乙酸乙酯 作为反应溶剂,化学反应 13.0H,反应生成 西他列汀
参考文献:西格列汀磷酸一水合物的实用不对称合成.
标题:西格列汀磷酸一水合物的实用不对称合成.
摘要:光学纯的西他列汀磷酸一水合物是通过手性半缩醛作为主要中间体,从(e)-4-(2,4,5-三氟苯基)but-2-Enal和n-Boc-保护的羟胺.手性半缩醛片段是由有机催化剂催化的氮杂-迈克尔/半缩醛串联反应构建的,并详细研究了布朗斯台德酸的酸度对氮杂-迈克尔/半缩醛的串联反应的影响.
DOI:10.3390/molecules23061440

专利信息

专利号:US-2024035023-A1
优先权日:2022-06-24
标题 :Computer implemented method for engineering fluorinase enzymes for synthesis of fluorophenyl compounds
发明人：R PRAVIN KUMAR; G GLADSTONE SIGAMANI; L ROOPA; B K NAVEEN; SHETTY ANUJ J; M LIKITH
权利人:KCAT ENZYMATIC PRIVATE LTD
摘要:The present invention discloses a computer-implemented method for engineering fluorinase enzymes towards the synthesis of fluorophenyl compounds. Limited or no mechanistic details of fluorinase enzymes have hindered progress in understanding their catalytic mechanisms for synthesizing synthetic organofluorine compounds. Through a comprehensive computational screening process, specific methionine-sulfonium phenyl substrates, including [(3S)-3-amino-3-carboxypropyl][2,5-difluoro-4-(4-methoxy-2,4-dioxobutyl)phenyl]methylsulfonium, were designed and optimized using quantum chemical optimization techniques. This methodology uncovers crucial information on F— ion attack conformation and the catalytic mechanism of the substrate, leading to the formation of Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate. Furthermore, a protein sequence and 3D modeling-based enzyme screening process was employed to identify the most suitable enzyme for this substrate. The identified enzyme was then engineered using the mechanistic insights gained from the studies, resulting in improved substrate scope, stability and catalytic efficiency. This computer-based approach offers an efficient and precise alternative to traditional trial-and-error methods, advancing the field towards the successful synthesis fluorophenyl compounds.

专利号:US-11459549-B2
优先权日:2018-05-10
标 题:Method for biocatalytic synthesis of Sitagliptin and intermediate thereof
发明人：WU FAHAO; YANG WEN; LI GANG; SHI HONGWEI; GAO YANGZHE; LIU LILI; YUAN ZHIFA
权利人:CHINA FORTUNE WAY COMPANY; NANJING REDWOOD FINE CHEMICAL CO LTD
摘要:Provided is a method for biocatalytic synthesis of Sitagliptin and intermediates thereof, in particular, provided are compounds of Formula (I) and Formula (II), or pharmaceutically acceptable salts thereof, a polypeptide capable of catalyzing conversion of a compound of Formula (I) to a compound of Formula (II), a nucleic acid encoding the polypeptide, a vector and a cell comprising the nucleic acid. In addition, also provided are a method for producing a compound of Formula (II) and Sitagliptin by using the polypeptide and the compound of Formula (I), and a method for preparing the polypeptide.

专利号:US-10787458-B2
优先权日:2014-09-25
标 题:Chiral synthesis of N-acyl-(3-substituted)-(8-substituted)-5,6-dihydro-[1,2,4]triazolo[4,3-A]pyrazines
发明人：HOVEYDA HAMID; DUTHEUIL GUILLAUME
权利人:OGEDA SA
摘要:Disclosed is a novel chiral synthesis of N-acyl-(3-substituted)-(8-substituted)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazines of Formula (I): n nor a solvate thereof. The novel chiral synthesis avoids the use of protection/deprotection steps.

专利号:WO-2023021529-A1
优先权日:2021-08-17
标题:Improved enzymatic synthesis of sitagliptin or its salts thereof
发明人：DATLA ANUPAMA; NAGRE PRASHANT; TAMORE JAGDISH; WADHAVANE SACHIN; MURALIDHARAN KRISHNA; TRIVIKRAM SREENATH
权利人:FERMENTA BIOTECH LTD
摘要:The present invention discloses an improved enzymatic synthesis of Sitalgiptin or its pharmaceutically acceptable salts in good yield and purity. The present invention provides novel intermediate (R)- 3-Acetamido-4-(2,4,5-Trifluorophenyl) butanoic acid (5).

专利号:US-2022274917-A1
优先权日:2019-09-06
标题 :Solvent free continuous process for the synthesis of metformin hyrochloride
发明人：KULKARNI AMOL ARVIND; SHARMA BRIJESH
权利人:COUNCIL SCIENT IND RES
摘要:The present invention provides a continuous solvent free and additive free process for the synthesis of Metformin Hydrochloride in a screw reactor. >90% conversion of the solid substrates without solvent is obtained in a screw reactor to produce Metformin Hydrochloride with at least 90% selectivity.

专利号:US-10005720-B2
优先权日:2013-04-05
标题:Compounds useful for the treatment of metabolic disorders and synthesis of the same
发明人：SEXTON JONATHAN Z; BRENMAN JAY E; MUSSO DAVID L
权利人:NORTH CAROLINA CENTRAL UNIV; UNIV NORTH CAROLINA CHAPEL HILL
摘要:The present invention provides compounds of Formula (I): wherein variables X, Y, Z and R1 are as described herein. Some of the compounds described herein are glutamate dehydrogenase activators. The invention is also directed to pharmaceutical compositions comprising these compounds, uses of these compounds and compositions in the treatment of metabolic disorders as well as synthesis of the compounds.