benzyl 4-hydroxy-3,4-dihydropyridine-1(2H)-carboxylate | 865996-28-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl 4-hydroxy-3,4-dihydropyridine-1(2H)-carboxylate
• 英文别名: benzyl 4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate
• CAS: 865996-28-7
• 化学式: C₁₃H₁₅NO₃
• 分子量: 233.267
• InChiKey: JUYRHQSVMOBABC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyl 4-hydroxy-3,4-dihydropyridine-1(2H)-carboxylate 在 亚硝酸特丁酯 、 diethylzinc 、 铁粉 、 氯化铵 、 caesium carbonate 、 copper(l) chloride 、 copper dichloride 作用下， 以 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 反应 46.5h， 生成 benzyl 5-(2-chlorophenoxy)-2-azabicyclo[4.1.0]heptane-2-carboxylate
  参考文献：
  名称：

  [EN] NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS
  [FR] NOUVEAUX COMPOSÉS ARYLOXYPIPÉRIDINE PYRAZOLE UTILES EN TANT QU'INHIBITEURS DE L'INDOLÉAMINE 2,3-DIOXYGÉNASE

  摘要：

  本文介绍了一种公式（I）的化合物，这些化合物是IDO酶的抑制剂：本文还披露了这些化合物在潜在治疗或预防IDO相关疾病或紊乱中的用途。本文还披露了包含这些化合物的组合物。本文还披露了这些组合物在潜在治疗或预防IDO相关疾病或紊乱中的用途。

  公开号：

  WO2020041100A1
• 作为产物：
  描述：

  4-甲氧基吡啶 在 ruthenium trichloride 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 benzyl 4-hydroxy-3,4-dihydropyridine-1(2H)-carboxylate
  参考文献：
  名称：

  FXR受体激动剂

  摘要：

  本发明属于医药技术领域，具体涉及式(I)所示的化合物、其药学上可接受的盐、酯或其立体异构体，R1、R2、R3、M1、M2、Q、L、环A、环B、m如说明书及权利要求书中所定义；本发明还涉及这些化合物的制备方法、药物制剂及在用于制备治疗和/或预防由FXR受体介导的非酒精性脂肪肝、原发性胆汁性肝硬化、脂质代谢紊乱、糖尿病并发症及恶性肿瘤等相关疾病的药物中的应用。

  公开号：

  CN109575008B

文献信息

• [EN] N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE APPARENTÉS À LA N-ACYLPIPÉRIDINE ÉTHER TROPOMYOSINE
  申请人：PFIZER LTD

  公开号：WO2015092610A1

  公开（公告）日：2015-06-25

  The present invention relates to compounds of Formula (I) described herein and their pharmaceutically acceptable salts, and their use in medicine, in particular as Trk antagonists.

  本发明涉及本文所述的式(I)化合物及其药学上可接受的盐，以及它们在医学上的用途，特别是作为Trk拮抗剂。
• [EN] AZABICYCLO[4.1.0]HEPTANE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR<br/>[FR] AZABICYCLO[4.1.0]HEPTANES MODULATEURS ALLOSTÉRIQUES DU RÉCEPTEUR MUSCARINIQUE M4 DE L'ACÉTYLCHOLINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2018226545A1

  公开（公告）日：2018-12-13

  The present invention is directed to azabicyclo[4.1.0]heptane compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及azabicyclo[4.1.0]庚烷类化合物，它们是M4肌酸乙酰胆碱受体的变构调节剂。本发明还涉及所述化合物在潜在治疗或预防M4肌酸乙酰胆碱受体参与的神经和精神疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗M4肌酸乙酰胆碱受体参与的疾病中的用途。
• A highly enantioselective Mannich reaction of aldehydes with cyclic N-acyliminium ions by synergistic catalysis
  作者：Francesco Berti、Federico Malossi、Fabio Marchetti、Mauro Pineschi

  DOI：10.1039/c5cc04416b

  日期：——

  A novel enantioselective synthesis of carbamoyl isoquinoline and tetrahydropyridine derivatives is accomplished using matched combinations of Lewis or Bronsted acids and secondary amine organocatalysts.

  使用路易斯酸或布朗斯台德酸与仲胺有机催化剂的匹配组合，可以实现氨基甲酰基异喹啉和四氢吡啶衍生物的新型对映选择性合成。
• Azabicyclo[4.1.0]heptane allosteric modulators of the M4 muscarinic acetylcholine receptor
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10945771B2

  公开（公告）日：2021-03-16

  The present invention is directed to azabicyclo[4.1.0]heptane compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及氮杂双环[4.1.0]庚烷化合物，该化合物是 M4 毒蕈碱乙酰胆碱受体的异构调节剂。本发明还涉及本文所述化合物在潜在治疗或预防涉及 M4 毒蕈碱乙酰胆碱受体的神经和精神障碍及疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗涉及 M4 蕈样乙酰胆碱受体的此类疾病中的用途。
• Synthesis and Kinetic Analysis of the <i>N</i>-Acetylhexosaminidase Inhibitor XylNAc-Isofagomine
  作者：Spencer Knapp、Chunhua Yang、Srihari Pabbaraja、Brian Rempel、Steven Reid、Stephen G. Withers

  DOI：10.1021/jo051117e

  日期：2005.9.1

  An efficient 10-step preparation from 4-methoxypyridine of (2R,3R,4R)-2-acetamido-3,4-dihydroxypiperidine ("XyINAe-isofagomine") in optically active form is described. Key steps include an enantioselective reduction with catecholborane/(S)-2-methyl-CBS-oxazaborolidine, and a stereo-selective pseudo-glycosylation of lithium azide by a cyclic sulfite ester. The title compound showed a K-i = 21 mu M when evaluated against the N-acetyl-beta-hexosaminidase from Streptomyces plicatus.