tert-butyl 4-hydroxy-4-(prop-2-yn-1-yl)piperidine-1-carboxylate | 301184-50-9

• 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: tert-butyl 4-hydroxy-4-(prop-2-yn-1-yl)piperidine-1-carboxylate
• 英文别名: tert-butyl 4-hydroxy-4-prop-2-ynylpiperidine-1-carboxylate
• CAS: 301184-50-9
• 化学式: C₁₃H₂₁NO₃
• mdl: MFCD24391958
• 分子量: 239.315
• InChiKey: PSIWSTCZAIQSON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.769
• 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：

  tert-butyl 4-hydroxy-4-(prop-2-yn-1-yl)piperidine-1-carboxylate 在 盐酸 、 甲醇 、 三乙酰氧基硼氢化钠 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 1-((3S,4S)-1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-prop-2-ynyl-piperidin-4-ol
  参考文献：
  名称：

  1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 3: polar functionality and its effect on anti-HIV-1 activity

  摘要：

  Incorporation of acidic functional groups into a lead CCR5 antagonist identified from a targeted combinatorial library resulted in compounds with enhanced anti-HIV-1 activity and attenuated L-type calcium channel affinity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00605-4
• 作为产物：
  描述：

  4-hydroxy-4-(3-trimethylsilanylprop-2-ynyl)piperidine-1-carboxylic acid tert-butyl ester 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 以400 mg的产率得到tert-butyl 4-hydroxy-4-(prop-2-yn-1-yl)piperidine-1-carboxylate
  参考文献：
  名称：

  [EN] RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF
  [FR] INHIBITEURS DE RET, COMPOSITIONS PHARMACEUTIQUES ET UTILISATIONS ASSOCIÉES

  摘要：

  本文提供了一种RET抑制剂，其药物组合物及用途。具体而言，提供了具有化学式（I）或其立体异构体、几何异构体、互变异构体、N-氧化物、溶剂合物、代谢物、药用可接受的盐或其前药的化合物。提供了包含该化合物的药物组合物，并提供了该化合物及其药物组合物的用途，用于制备药物，特别是用于治疗和预防与RET相关的疾病和症状，包括癌症、肠易激综合征以及与肠易激综合征相关的疼痛。

  公开号：

  WO2020114494A1

文献信息

• PYRAZOLO PYRIMIDINE DERIVATIVES
  申请人：MILTZ Wolfgang

  公开号：US20120252778A1

  公开（公告）日：2012-10-04

  The present invention relates to pyrazolo pyrimidine derivatives, to methods of preparing these, to combinations and pharmaceutical composition comprising these, and to their use in the treatment of diseases and disorders which may for example involve autoimmune diseases, angiogenesis, pain, and/or inflammatory diseases.

  本发明涉及吡唑并嘧啶衍生物，涉及制备这些衍生物的方法，涉及包含这些衍生物的组合物和药物组合物，以及它们在治疗可能涉及自身免疫疾病、血管生成、疼痛和/或炎症性疾病的疾病和紊乱中的用途。
• TOLL-LIKE RECEPTOR-7 AGONIST
  申请人：MEDSHINE DISCOVERY INC.

  公开号：US20180148452A1

  公开（公告）日：2018-05-31

  Disclosed are a novel pyrrolopyrimidine ring compound as a TLR7 agonist or a pharmaceutically acceptable salt thereof, used for preventing or treating allergic rhinitis and asthma. In particular, disclosed is a compound represented by formula (I) or a pharmaceutically acceptable salt thereof.

  揭示了一种新型吡咯吡嘧啶环化合物，作为TLR7激动剂或其药学上可接受的盐，用于预防或治疗过敏性鼻炎和哮喘。具体而言，揭示了一种由式(I)表示的化合物或其药学上可接受的盐。
• [EN] PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] MODULATEURS DE PYRROLIDINE DE L'ACTIVITE DU RECEPTEUR DES CHIMIOKINES
  申请人：MERCK & CO INC

  公开号：WO2000059503A1

  公开（公告）日：2000-10-12

  The present invention is directed to pyrrolidine compounds of formula (I) (wherein R?1, R2, R3, R4, R5, R6¿ and n are defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptors CCR-5 and/or CCR-3.

  本发明涉及式(I)的吡咯烷化合物（其中R1，R2，R3，R4，R5，R6和n的定义如下），它们可用作趋化因子受体活性调节剂。特别地，这些化合物可用作趋化因子受体CCR-5和/或CCR-3的调节剂。
• COMPOUNDS FOR USE IN GASTRIC COMPLICATION
  申请人：Christ Andreas

  公开号：US20150216867A1

  公开（公告）日：2015-08-06

  The present invention relates to the use of low molecular weight (lmw) compounds, especially lmw compounds with GPR4-affinity, in the treatment of diseases and disorders which includes gastroesophageal reflux disease (GERD), and/or non-erosive reflux disease (NERD) and the like.

  本发明涉及低分子量化合物（LMW），特别是具有GPR4亲和力的LMW化合物在治疗疾病和疾病中的应用，包括胃食管反流病（GERD）和/或非侵蚀性反流病（NERD）等。
• Skeletal Diversification via Heteroatom Linkage Control: Preparation of Bicyclic and Spirocyclic Scaffolds from N-Substituted Homopropargyl Alcohols
  作者：Thomas O. Painter、Jonathon R. Bunn、Frank J. Schoenen、Justin T. Douglas、Victor W. Day、Conrad Santini

  DOI：10.1021/jo400077m

  日期：2013.4.19

  The discovery and application of a new branching pathway synthesis strategy that rapidly produces skeletally diverse scaffolds is described. Two different scaffold types, one a bicyclic iodo-vinylidene tertiary amine/tertiary alcohol and the other, a spirocyclic 3-furanone, are each obtained using a two-step sequence featuring a common first step. Both scaffold types lead to intermediates that can be orthogonally diversified using the same final components. One of the scaffold types was obtained in sufficiently high yield that it was immediately used to produce a 97 compound library.