CAS: 64744-50-9; 2-Azaspiro[4.5]Decan-3-One

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加巴喷丁置于sodium Hydroxide体系中,化学反应生成 3,3'-亚戊烯基-4-丁内酰胺
参考文献:葫芦[7]脲与加巴喷丁的复合物:对内酰胺化的影响
标题:葫芦[7]脲与加巴喷丁的复合物:对内酰胺化的影响
摘要:光谱和计算技术已用于研究加巴喷丁 (Gab) 及其内酰胺形式 (Lac) 与葫芦[7]脲 (Cb7) 在水溶液中的络合. H NMR和荧光置换滴定表明cb7与gab和lac形成1:1复合物,优先与lac结合(δδ∼-4 Kcal.Mol).此外,两周内记录的 1H NMR 谱表明,当 Gab 被封装在 Cb7 的空腔内时,Gab 内酰胺化的速率会增加.这是通过量子化学计算得出的,Cb7 空腔内内酰胺化过程的活化自由能较低的直接结果.分子动力学模拟揭示了环己基部分封装在主体空腔内,而 Gab 中的 Nh 和 Lac 中的 Nh 与 Cb7 门户相互作用,这与 NMR 结果一致. Mm-Pbsa 结果表明,范德华相互作用对两个客体分子的结合自由能提供了主要的有利贡献,而静电贡献仅对 Gab 显着. Mm-Pbsa 对结合自由能的估计未能重现观测到的 Cb7 对 Lac 的优先亲和力,而热力学积
DOI:10.1016/j.Molliq.2023.121716

专利信息

专利号:US-11987826-B2
优先权日:2020-01-21
标 题:Nitrilase mutant and application thereof in the synthesis of an anti-epileptic drug intermediate
发明人：XUE YAPING; XIONG NENG; Lv Peijin; ZHENG YUGUO
权利人:UNIV ZHEJIANG TECHNOLOGY
摘要:The present invention provides a nitrilase mutant protein with increased thermal stability and its application in the synthesis of an anti-epileptic drug intermediate, wherein the mutant is obtained by mutating one or two of the amino acids at position 151, 223 and 250 of the amino acid sequence shown in SEQ ID No. 2. the thermal stability of the nitrilase mutant AcN-T151V/C223A/C250G was increased by up to 1.73 folds. The yield of the final product was up to 95% using the recombinant Escherichia coli containing the nitrilase mutant to hydrolyze 1M 1-cyanocyclohexylacetonitrile to produce 1-cyanocyclohexyl acetic acid at 35° C. And the yield of the final product was up to 97% when hydrolyzing 1.2M 1-cyanocyclohexylacetonitrile at 35° C. The final yield was up to 80% when using the nitrilase mutants obtained by the present invention to synthesize gabapentin.

专利号:US-6765114-B1
优先权日:1998-12-29
标题 :Process for the synthesis of 1-(aminomethyl)cyclohexyl-acetic acid
发明人：GIZUR TIBOR; LENGYEL ZOLTANNE; SZALAI KRISZTINA
权利人:RICHTER GEDEON VEGYESZET
摘要:The invention relates to a new process for the synthesis of 1-(aminomethyl)cyclohexyl-acetic acid of formula (I) via the new intermedier 1-(nitromethyl)cyclohexyl-acetic acid derivative of formula (II), wherein R represents hydrogen, benzyl group, diphenylmethyl group or C 1 -C 4 alkyl or alkoxy aromatic ring substituted derivatives thereof.

专利号:US-2023150922-A1
优先权日:2020-04-21
标题 :Fluorinated Derivatives of Gabapentin and Methods of Use Thereof
发明人：BRUGAROLAS PEDRO; ZHOU YUPENG
权利人:MASSACHUSETTS GEN HOSPITAL
摘要:Described herein are fluorinated derivatives of gabapentin and methods of synthesis and methods of use thereof, e.g., in imaging and therapy.

专利号:WO-0039074-A1
优先权日:1998-12-29
标题 :Process for the synthesis of 1-(aminomethyl)cyclohexyl-acetic acid

专利号:SK-9372001-A3
优先权日:1998-12-29
标题:Process for the synthesis of 1-(aminomethyl)cyclohexyl-acetic acid

专利号:CN-113801239-B
优先权日:2020-11-03
标 题 :Peptide tags, highly soluble recombinant nitrilases and their applications in the synthesis of pharmaceutical chemicals