tert-butyl N-[(3R,4R)-3-methoxy-4-piperidyl]carbamate | 907544-18-7

• 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: tert-butyl N-[(3R,4R)-3-methoxy-4-piperidyl]carbamate
• 英文别名: trans-4-(Boc-amino)-3-methoxypiperidine；tert-butyl N-[(3R,4R)-3-methoxypiperidin-4-yl]carbamate
• CAS: 907544-18-7
• 化学式: C₁₁H₂₂N₂O₃
• 分子量: 230.307
• InChiKey: BSSCFNOPCQQJAZ-RKDXNWHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  59.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[(3R,4R)-3-methoxy-4-piperidyl]carbamate 在 N-甲基吗啉 、 盐酸 、 1-羟基苯并三唑 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 methyl 2-[(3R,4R)-4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methoxy-1-piperidyl]thiazole-5-carboxylate
  参考文献：
  名称：

  Optimization of Pyrrolamide Topoisomerase II Inhibitors Toward Identification of an Antibacterial Clinical Candidate (AZD5099)

  摘要：

  AZD5099 (compound 63) is an antibacterial agent that entered phase 1 clinical trials targeting infections caused by Gram-positive and fastidious Gram-negative bacteria. It was derived from previously reported pyrrolamide antibacterials and a fragment-based approach targeting the ATP binding site of bacterial type II topoisomerases. The program described herein varied a 3-piperidine substituent and incorporated 4-thiazole substituents that form a seven-membered ring intramolecular hydrogen bond with a 5-position carboxylic acid. Improved antibacterial activity and lower in vivo clearances were achieved. The lower clearances were attributed, in part, to reduced recognition by the multidrug resistant transporter Mrp2. Compound 63 showed notable efficacy in a mouse neutropenic Staphylococcus aureus infection model. Resistance frequency versus the drug was low, and reports of clinical resistance due to alteration of the target are few. Hence, 63 could offer a novel treatment for serious issues of resistance to currently used antibacterials.

  DOI：

  10.1021/jm500462x
• 作为产物：
  描述：

  benzyl trans(+/-)-4-[(tert-butoxycarbonyl)amino]-3-methoxypiperidine-1-carboxylate 在 钯 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 tert-butyl N-[(3R,4R)-3-methoxy-4-piperidyl]carbamate
  参考文献：
  名称：

  Substituted pyrimidines for the treatment of diseases such as cancer

  摘要：

  本发明涵盖了通式（1）中A，B，X，R1至R3所定义的化合物，适用于治疗由过度或异常细胞增殖所特征的疾病，并且它们的用途是制备具有上述特性的药物。

  公开号：

  US08846689B2

文献信息

• [EN] MODULATORS OF EUKARYOTIC INITIATION FACTOR 2<br/>[FR] MODULATEURS DU FACTEUR 2 D'INITIATION EUCARYOTE
  申请人：DENALI THERAPEUTICS INC

  公开号：WO2019183589A1

  公开（公告）日：2019-09-26

  The present disclosure relates generally to eukaryotic initiation factor 2B modulators of formula A, or a pharmaceutically acceptable salt, stereoisomer, or mixture of stereoisomers thereof and methods of making and using thereof.

  本公开涉及一般与配方A的真核起始因子2B调节剂有关，或其药用可接受盐、立体异构体或其立体异构体混合物，以及其制备和使用方法。
• SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER
  申请人：Stadtmueller Heinz

  公开号：US20110288071A1

  公开（公告）日：2011-11-24

  The present invention encompasses compounds of general formula (1) wherein A, B, X, R 1 to R 3 are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use for preparing a medicament having the above-mentioned properties.

  本发明涵盖通式（1）中A，B，X，R1至R3如权利要求1所定义的化合物，适用于治疗由过度或异常细胞增殖特征的疾病，并用于制备具有上述特性的药物。
• 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS
  申请人：Godfrey Andrew Aydon

  公开号：US20120270864A1

  公开（公告）日：2012-10-25

  The present invention relates to compounds of Formula (I): and pharmaceutically acceptable salts thereof, to their use in the treatment of bacterial infections, and to their methods of preparation.

  本发明涉及公式(I)化合物及其药学上可接受的盐，以及它们在治疗细菌感染方面的用途和制备方法。
• Substituted pyrimidines for the treatment of diseases such as cancer
  申请人：Stadtmueller Heinz

  公开号：US08846689B2

  公开（公告）日：2014-09-30

  The present invention encompasses compounds of general formula (1) wherein A, B, X, R1 to R3 are defined as in claim 1, which are suitable for the treatment of diseases characterized by excessive or abnormal cell proliferation, and their use for preparing a medicament having the above-mentioned properties.

  本发明涵盖了通式（1）中A，B，X，R1至R3所定义的化合物，适用于治疗由过度或异常细胞增殖所特征的疾病，并且它们的用途是制备具有上述特性的药物。
• [EN] SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010058032A3

  公开（公告）日：2010-07-15