4-(6-methoxy-pyridine-3-carbonyl)-piperidine-1-carboxylic acid tert-butyl ester | 1352725-10-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-(6-methoxy-pyridine-3-carbonyl)-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: 4-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylic acid tert-butyl ester；tert-butyl 4-(6-methoxynicotinoyl)piperidine-1-carboxylate；tert-butyl 4-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate
• CAS: 1352725-10-0
• 化学式: C₁₇H₂₄N₂O₄
• 分子量: 320.389
• InChiKey: VWSDASHZMXSHRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(6-methoxy-pyridine-3-carbonyl)-piperidine-1-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 (6-methoxy-pyridin-3-yl)-piperidin-4-yl-methanone hydrochloride
  参考文献：
  名称：

  [EN] OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES
  [FR] DÉRIVÉS OXOQUINAZOLINYL-BUTANAMIDE

  摘要：

  公式I中的化合物，其中R1-R3和Z具有权利要求1中指示的含义，是Tankyrase的抑制剂，可用于治疗癌症、心血管疾病、中枢神经系统损伤以及不同形式的炎症等疾病。

  公开号：

  WO2015014442A1
• 作为产物：
  描述：

  1-Boc-4-哌啶甲酸 在 正丁基锂 、 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 作用下， 以 四氢呋喃 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 35.0h， 生成 4-(6-methoxy-pyridine-3-carbonyl)-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  [EN] OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES
  [FR] DÉRIVÉS OXOQUINAZOLINYL-BUTANAMIDE

  摘要：

  公式I中的化合物，其中R1-R3和Z具有权利要求1中指示的含义，是Tankyrase的抑制剂，可用于治疗癌症、心血管疾病、中枢神经系统损伤以及不同形式的炎症等疾病。

  公开号：

  WO2015014442A1

文献信息

• [EN] 1,4-DICARBONYL-PIPERIDYL DERIVATIVES<br/>[FR] DÉRIVÉS DE 1,4-DICARBONYLE-PIPÉRIDYLE
  申请人：MERCK PATENT GMBH

  公开号：WO2017076484A1

  公开（公告）日：2017-05-11

  Compounds of the formula I in which Z, W, Q, R and Y have the meanings indicated in Claim 1, are inhibitors of Tankyrase, and can be employed, inter alia, for the treatment of diseases such as cancer, cardiovascular diseases, central nervous system injury and different forms of inflammation.

  式I中Z、W、Q、R和Y具有权利要求1中指示的含义的化合物是坦克酶的抑制剂，可用于治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病。
• Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand
  申请人：Tu Zhude

  公开号：US20110311447A1

  公开（公告）日：2011-12-22

  Bipiperidinyl compounds and salts thereof are disclosed. The compounds include high affinity ligands for σ 1 receptors. Some compounds are also highly selective for σ 1 receptor compared to σ 2 receptor. Compounds can comprise radioisotopes, including 18 F or 11 C. Radiolabeled compounds can be used as probes for imaging distribution of σ 1 receptor in a subject such as a human using positron emission tomography (PET) scanning.

  双哌啶基化合物及其盐被披露。这些化合物包括对σ1受体具有高亲和力的配体。一些化合物相对于σ2受体也具有高选择性。化合物可以包含放射性同位素，包括18F或11C。放射标记的化合物可用作探针，用于通过正电子发射断层扫描（PET扫描）在受试者（如人类）中成像σ1受体的分布。
• OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES
  申请人：MERCK PATENT GMBH

  公开号：US20160184310A1

  公开（公告）日：2016-06-30

  Compounds of the formula I in which R 1 -R 3 and Z have the meanings indicated in Claim 1 , are inhibitors of Tankyrase, and can be employed, inter alia, for the treatment of diseases such as cancer, cardiovascular diseases, central nervous system injury and different forms of inflammation.

  公式I的化合物，其中R1-R3和Z具有声明1中指示的含义，是Tankyrase的抑制剂，可以用于治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病。
• 1,4-dicarbonyl-piperidyl derivatives
  申请人：Merck Patent GmbH

  公开号：US10570116B2

  公开（公告）日：2020-02-25

  Compounds of the formula I in which Z, W, Q, R and Y have the meanings indicated in claim 1, are inhibitors of Tankyrase, and can be employed, inter alia, for the treatment of diseases such as cancer, cardiovascular diseases, central nervous system injury and different forms of inflammation.

  式 I 的化合物 其中 Z、W、Q、R 和 Y 的含义如权利要求 1 所示，是 Tankyrase 的抑制剂，可用于治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病。
• Heteroaromatic and Aniline Derivatives of Piperidines As Potent Ligands for Vesicular Acetylcholine Transporter
  作者：Junfeng Li、Xiang Zhang、Zhanbin Zhang、Prashanth K. Padakanti、Hongjun Jin、Jinquan Cui、Aixiao Li、Dexing Zeng、Nigam P. Rath、Hubert Flores、Joel S. Perlmutter、Stanley M. Parsons、Zhude Tu

  DOI：10.1021/jm400664x

  日期：2013.8.8

  To identify suitable lipophilic compounds having high potency and selectivity for vesicular acetylcholine transporter (VAChT), a heteroaromatic ring or a phenyl group was introduced into the carbonyl-containing scaffold for VAChT ligands. Twenty new compounds with ALogD values between 0.53 and 3.2 were synthesized, and their in vitro binding affinities were assayed. Six of them (19a, 19e, 19g, 19k, and 24a-b) displayed high affinity for VAChT (K-i = 0.93-18 nM for racemates) and moderate to high selectivity for VAChT over sigma(1) and sigma(2) receptors (K-i = 44-4400-fold). These compounds have a methyl or a fluoro substitution that provides the position for incorporating PET radioisotopes C-11 or F-18. Compound (-)-[C-11]24b (K-i = 0.78 nM for VAChT, 1200-fold over sigma receptors) was successfully synthesized and evaluated in vivo in rats and nonhuman primates. The data revealed that (-)-[C-11]24b has highest binding in striatum and has favorable pharmacokinetics in the brain.