4-乙酰氨基哌啶-1-羧酸叔丁酯 | 1093759-67-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-乙酰氨基哌啶-1-羧酸叔丁酯
• 中文别名: 4-乙酰氨基哌啶-1-甲酸叔丁酯
• 英文名称: tert-butyl 4-acetamidopiperidine-1-carboxylate
• CAS: 1093759-67-1
• 化学式: C₁₂H₂₂N₂O₃
• 分子量: 242.318
• InChiKey: GIJOQYNFKUGGNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  4-乙酰氨基哌啶-1-羧酸叔丁酯 在 三氟乙酸 作用下， 反应 2.0h， 生成 4-乙酰胺基-哌啶
  参考文献：
  名称：

  Discovery of N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): An Allosteric Muscarinic M₁ Receptor Agonist with Unprecedented Selectivity and Procognitive Potential

  摘要：

  The discovery and structure activity relationship (SAR) of a series of allosteric muscarinic M, receptor agonists are described. Compound 17 (Lu AE51090) was identified as a representative compound from the series, based on its high selectivity as an agonist at the muscarinic M-1 receptor across a panel of muscarinic receptor subtypes. Furthermore, 17 displayed a high degree of selectivity when tested in a broad panel of G-protein-coupled receptors, ion channels, transporters, and enzymes, and 17 showed an acceptable pharmacokinetic profile and sufficient brain exposure in rodents in order to characterize the compound in vivo. Hence, in a rodent model of learning and memory, 17 reversed delay-induced natural forgetting, suggesting a procognitive potential of 17.

  DOI：

  10.1021/jm100697g
• 作为产物：
  描述：

  4-乙酰基哌啶-1-甲酸叔丁酯 在 Ca(bis(triflimide))2 、 盐酸羟胺 、 sodium acetate 、 tert-butylammonium hexafluorophosphate(V) 作用下， 以 乙二醇二甲醚 、 乙醇 、 水 、 1,2-二氯乙烷 为溶剂， 反应 2.0h， 生成 4-乙酰氨基哌啶-1-羧酸叔丁酯
  参考文献：
  名称：

  轻度钙催化贝克曼重排

  摘要：

  已经实现了轻度钙催化的贝克曼重排，这消除了与转化相关的更传统的苛刻反应条件。已表明该催化剂体系对与天然产物合成和药物化学有关的多种官能团具有耐受性，并且还研究了该反应的合成效用。进行了初步的机械研究，以了解传入亲核试剂的性质，并描述了可能的反应途径。

  DOI：

  10.1039/c7cc09491d

文献信息

• [EN] 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS<br/>[FR] DÉRIVÉS D'AZÉTIDINE OU DE CYCLOBUTANE 1,3-DISUBSTITUÉS UTILISÉS COMME INHIBITEURS DE LA PROSTAGLANDINE D SYNTHASE HÉMATOPOÏÉTIQUE (H-PGDS)
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2018069863A1

  公开（公告）日：2018-04-19

  A compound of formula (I), wherein R, R1, R2, R3, Y, Y1, a, X, and Z are as defined herein. The compounds of the present invention are inhibitors of hematopoietic prostaglandin D synthase (H-PGDS) and can be useful in the treatment of Duchenne Muscular Dystrophy. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting H-PGDS activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  式（I）的化合物，其中R、R1、R2、R3、Y、Y1、a、X和Z的定义如本文所述。本发明的化合物是造血前列腺素D合成酶（H-PGDS）的抑制剂，可用于治疗杜兴氏肌肉萎缩症。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还进一步涉及使用本发明化合物或包含本发明化合物的药物组合物来抑制H-PGDS活性和治疗相关疾病的方法。
• [EN] HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROBICYCLIQUES COMME INHIBITEURS DE LA BÊTA-LACTAMASE
  申请人：ASTRAZENECA AB

  公开号：WO2013150296A1

  公开（公告）日：2013-10-10

  The present invention is directed to compounds which are beta-lactamase inhibitors. The compounds and their pharmaceutically acceptable salts, are useful in combination with beta-lactam antibiotics, or alone, for the treatment of bacterial infections, including infections caused by drug resistant organisms, including multi-drug resistant organisms. The present invention includes compounds according to formula (Ia): or a pharmaceutically acceptable salt thereof, wherein the values of R1, R 2, R 3 and R 4 are described herein.

  本发明涉及一种β-内酰胺酶抑制剂化合物。这些化合物及其药学上可接受的盐，可与β-内酰胺类抗生素结合使用，或单独使用，用于治疗细菌感染，包括由耐药菌株引起的感染，包括多药耐药菌株引起的感染。本发明包括根据式(Ia)的化合物：或其药学上可接受的盐，其中R1、R2、R3和R4的值如本文所述。
• NOVEL OLEFIN DERIVATIVE
  申请人：Matsumura Akira

  公开号：US20150246938A1

  公开（公告）日：2015-09-03

  The object of the present invention is to provide novel compounds having ACC2 inhibiting activity. In addition, the object of the present invention is to provide a pharmaceutical composition comprising the compound. A compound of formula (I′): wherein R 1 is substituted or unsubstituted aryl etc., R 2 is each independently hydrogen, substituted or unsubstituted alkyl etc., R 3 is each independently hydrogen, substituted or unsubstituted alkyl etc., n is an integer from 0 to 3, R 12 is hydrogen, substituted or unsubstituted alkyl etc., Ring A is aromatic carbocycle or aromatic heterocycle, R 9 is substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl etc., m is an integer from 0 to 4, R 4 and R 5 is each independently hydrogen, substituted or unsubstituted alkyl etc., R 6 is substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl etc., R 13 is hydrogen, substituted or unsubstituted alkyl etc., X 5 is bond etc., R 7 is hydrogen or substituted or unsubstituted alkyl, R 8 is substituted or unsubstituted alkylcarbonyl, substituted or unsubstituted alkenylcarbonyl etc.

  本发明的目的是提供具有ACC2抑制活性的新型化合物。此外，本发明的目的是提供包含该化合物的药物组合物。 公式(I′)的化合物： 其中R1是取代或未取代的芳基等， R2各自独立为氢，取代或未取代的烷基等， R3各自独立为氢，取代或未取代的烷基等， n是0到3的整数， R12是氢，取代或未取代的烷基等， 环A是芳香碳环或芳香杂环， R9是取代或未取代的烷基，取代或未取代的烯基等， m是0到4的整数， R4和R5各自独立为氢，取代或未取代的烷基等， R6是取代或未取代的烷基，取代或未取代的烯基等， R13是氢，取代或未取代的烷基等， X5是键等， R7是氢或取代或未取代的烷基， R8是取代或未取代的烷基碳酰，取代或未取代的烯基碳酰等。
• [EN] TETRAHYDROISOQUINOLINE DERIVATIVES<br/>[FR] DÉRIVÉS DE TÉTRAHYDROISOQUINOLINE
  申请人：VIIV HEALTHCARE UK LTD

  公开号：WO2017093938A1

  公开（公告）日：2017-06-08

  Compounds of Formula (I) are disclosed and methods of treating viral infections with compositions comprising such compounds.

  化合物的化学式（I）已经公开，并且揭示了使用含有这些化合物的组合物治疗病毒感染的方法。
• [EN] SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS<br/>[FR] DÉRIVÉS SUBSTITUÉS D'ARYLES ET D'HÉTÉROARYLES FUSIONNÉS AU TITRE D'INHIBITEURS DE PI3K
  申请人：INCYTE CORP

  公开号：WO2011075630A1

  公开（公告）日：2011-06-23

  The present invention provides fused aryl and heteroaryl derivatives of Formula I that modulate the activity of phosphoinositide 3-kinases (PI3Ks) and are useful in the treatment of diseases related to the activity of PI3Ks including, for example, inflammatory disorders, immune-based disorders, cancer, and other diseases.

  本发明提供了式I的融合芳基和杂芳基衍生物，可以调节磷脂酰肌醇3-激酶（PI3Ks）的活性，并且在治疗与PI3Ks活性相关的疾病方面具有用处，例如炎症性疾病、免疫相关疾病、癌症和其他疾病。