1-tert-butyl 4-ethyl 4-(2-chloroethyl)piperidine-1,4-dicarboxylate | 212782-43-9

• 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: 1-tert-butyl 4-ethyl 4-(2-chloroethyl)piperidine-1,4-dicarboxylate
• 英文别名: 4-(2-chloroethyl)-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester-4-ethyl ester；Ethyl1-Boc-4-(2-chloroethyl)piperidine-4-carboxylate；1-O-tert-butyl 4-O-ethyl 4-(2-chloroethyl)piperidine-1,4-dicarboxylate
• CAS: 212782-43-9
• 化学式: C₁₅H₂₆ClNO₄
• 分子量: 319.829
• InChiKey: KIBNEMIIQVFXBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-tert-butyl 4-ethyl 4-(2-chloroethyl)piperidine-1,4-dicarboxylate 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-O-tert-butyl 4-O-ethyl 4-(2-azidoethyl)piperidine-1,4-dicarboxylate
  参考文献：
  名称：

  Pyrrolidinyl phenylurea derivatives as novel CCR3 antagonists

  摘要：

  Optimization starting with our lead compound 1 (IC50 = 4.9 nM) led to the identification of pyrrolidinyl phenylurea derivatives. Further modification toward improvement of the bioavailability provided (R)-1-(1-((6-fluoronaphthalen-2-yl)methyl)pyrrolidin-3-yl)-3-(2-(2-hydroxyethoxy)phenyl)urea 32 (IC50 = 1.7 nM), a potent and orally active CCR3 antagonist. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.035
• 作为产物：
  描述：

  哌啶-4-甲酸乙酯 在 三乙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 1-tert-butyl 4-ethyl 4-(2-chloroethyl)piperidine-1,4-dicarboxylate
  参考文献：
  名称：

  Pyrrolidinyl phenylurea derivatives as novel CCR3 antagonists

  摘要：

  Optimization starting with our lead compound 1 (IC50 = 4.9 nM) led to the identification of pyrrolidinyl phenylurea derivatives. Further modification toward improvement of the bioavailability provided (R)-1-(1-((6-fluoronaphthalen-2-yl)methyl)pyrrolidin-3-yl)-3-(2-(2-hydroxyethoxy)phenyl)urea 32 (IC50 = 1.7 nM), a potent and orally active CCR3 antagonist. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.035

文献信息

• ALICYCLIC HETEROCYCLIC COMPOUND
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1970373A1

  公开（公告）日：2008-09-17

  An alicyclic heterocyclic compound represented by the following formula or a pharmaceutically acceptable salt thereof: wherein ring A is a heterocyclic ring, ring B is a carbocyclic ring, a heterocyclic ring etc., P1 and P2 are CH or N, q and r are 0 to 2, X is -NH-, -O-, -CH2-, etc., Y is -CH2-, -CO-, -SO2-, etc., Z is -CO-, -SO2-, etc., and R3 is carbocyclic group, heterocyclic group, hydroxyl, alkoxy or amino, is useful as a controlling agent of the function of CCR4 useful for the prevention or treatment for bronchial asthma, atopic dermatitis, etc.

  以下是该公式表示的脂环杂环化合物或其药用可接受盐： 其中环A是杂环，环B是碳环，杂环等，P1和P2是CH或N，q和r为0至2，X为-NH-，-O-，-CH2-等，Y为-CH2-，-CO-，-SO2-等，Z为-CO-，-SO2-等，R3为碳环基团，杂环基团，羟基，烷氧基或氨基， 可用作CCR4功能的控制剂，用于预防或治疗支气管哮喘，特应性皮炎等。
• [EN] HYDROXAMIC ACID DERIVATIVES AS LPXC INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] DÉRIVÉS D'ACIDE HYDROXAMIQUE UTILISÉS COMME INHIBITEURS DE LPXC POUR LE TRAITEMENT D'INFECTIONS BACTÉRIENNES
  申请人：NOVARTIS AG

  公开号：WO2014160649A1

  公开（公告）日：2014-10-02

  This invention pertains generally to antibacterial organic compounds of Formula I as described herein, and pharmaceutical compositions containing such compounds. In certain aspects, the invention pertains to treating infections caused by Gram-negative bacteria using these compounds and compositions.

  这项发明通常涉及如本文所述的一般抗菌有机化合物I的公式，以及含有这些化合物的药物组合物。在某些方面，该发明涉及使用这些化合物和组合物治疗由革兰氏阴性细菌引起的感染。
• [EN] METHODS OF PREPARATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS<br/>[FR] PROCEDES DE PREPARATION D'ANTAGONISTES DES RECEPTEURS CHOLINERGIQUES MUSCARINIQUES
  申请人：GLAXO GROUP LTD

  公开号：WO2011029896A1

  公开（公告）日：2011-03-17

  The present application describes novel intermediates useful in the synthesis of mAChRs and methods for preparing these intermediates, comprising a compound of Formula (II): wherein, P is a suitably nitrogen protecting group; R is selected from the group consisting of C1-8alkyl, C2-8alkenyl, C2-8alkynyl, C3-6cycloalkyl, C3-6cycloalkenyl, heterocyclic, heterocyclic C1-4alkyl, aryl, aryl C1-4alkyl and heteroaryl C1-4alkyl; and Y is a suitable leaving group.

  本申请描述了在合成mAChRs过程中有用的新型中间体，以及制备这些中间体的方法，包括化合物的公式（II）：其中，P是适当的氮保护基；R选自由C1-8烷基，C2-8烯基，C2-8炔基，C3-6环烷基，C3-6环烯基，杂环，杂环C1-4烷基，芳基，芳基C1-4烷基和杂芳基C1-4烷基；Y是适当的离去基团。
• Lactam compounds and methods of using the same
  申请人：Zhuo Jincong

  公开号：US20070129345A1

  公开（公告）日：2007-06-07

  The present invention relates to inhibitors of 11-β hydroxyl steroid dehydrogenase type 1 and pharmaceutical compositions thereof. The compounds of the invention can be useful in the treatment of various diseases associated with expression or activity of 11-β hydroxyl steroid dehydrogenase type 1.

  本发明涉及11-β羟基类固醇脱氢酶1型的抑制剂及其药物组合物。本发明的化合物可用于治疗与11-β羟基类固醇脱氢酶1型的表达或活性相关的各种疾病。
• Alicyclic Heterocyclic Compound
  申请人：Furukubo Shigeru

  公开号：US20090182140A1

  公开（公告）日：2009-07-16

  An alicyclic heterocyclic compound represented by the following formula or a pharmaceutically acceptable salt thereof: wherein ring A is a heterocyclic ring, ring B is a carbocyclic ring, a heterocyclic ring etc., P 1 and P 2 are CH or N, q and r are 0 to 2, X is —NH—, —O—, —CH 2 —, etc., Y is —CH 2 —, —CO—, —SO 2 —, etc., Z is —CO—, —SO 2 —, etc., and R 3 is carbocyclic group, heterocyclic group, hydroxyl, alkoxy or amino, is useful as a controlling agent of the function of CCR 4 useful for the prevention or treatment for bronchial asthma, atopic dermatitis, etc.

  以下式子所示的脂环杂环化合物或其药学上可接受的盐： 其中环A为杂环，环B为碳环，杂环等，P1和P2为CH或N，q和r为0至2，X为—NH—，—O—，—CH2—等，Y为—CH2—，—CO—，—SO2—等，Z为—CO—，—SO2—等，R3为碳环基团，杂环基团，羟基，烷氧基或氨基，用作CCR4功能调节剂，用于预防或治疗支气管哮喘，特应性皮炎等。