((3R,4S)-4-苯基吡咯烷-3-基)甲醇 | 848307-24-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: ((3R,4S)-4-苯基吡咯烷-3-基)甲醇
• 中文别名: (3R,4S)-4-苯基吡咯烷-3-基甲醇盐酸盐
• 英文名称: (3R,4S)-3-hydroxymethyl-4-phenylpyrrolidine
• 英文别名: ((3R,4S)-4-phenylpyrrolidin-3-yl)methanol；[(3R,4S)-4-phenylpyrrolidin-3-yl]methanol
• CAS: 848307-24-4
• 化学式: C₁₁H₁₅NO
• 分子量: 177.246
• InChiKey: MMDOXIYRYUVGPQ-GHMZBOCLSA-N

物化性质

• 沸点：
  316.1±25.0 °C(Predicted)
• 密度：
  1.058±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  ((3R,4S)-4-苯基吡咯烷-3-基)甲醇 生成
  参考文献：
  名称：

  [EN] SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY
  [FR] COMPOSES SPIRO ET PROCEDES POUR LA MODULATION DE L'ACTIVITE DE RECEPTEUR DE CHIMIOKINE

  摘要：

  式I的化合物插入权利要求1中的式I，其中X、Y、Z、W、R1和R2如本文所定义，或其药用可接受的盐、水合物或溶剂化合物，可用于调节CCR5趋化因子受体活性。

  公开号：

  WO2005023809A1
• 作为产物：
  描述：

  (3R,4S)-tert-butyl 3-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 0.5h， 以87%的产率得到((3R,4S)-4-苯基吡咯烷-3-基)甲醇
  参考文献：
  名称：

  Diastereodivergent Access to Syn and Anti 3,4-Substituted β-Fluoropyrrolidines: Enhancing or Reversing Substrate Preference

  摘要：

  A practical diastereodivergent access to beta-fluoropyrrolidines with two adjacent stereocenters has been demonstrated, by either enhancing or completely reversing the substrate control, in the diastereoselective fluorination of a series of diverse pyrrolidinyl carbaldehydes using organocatalysis. Furthermore, enamine catalysis has been successfully utilized for kinetic resolution, obtaining a fluorinated beta-prolinol analogue with two adjacent tetrasubstituted chiral centers in 95% ee from a racemic substrate.

  DOI：

  10.1021/acs.orglett.6b00293

文献信息

• Cinnamide compound
  申请人：Kimura Teiji

  公开号：US20060004013A1

  公开（公告）日：2006-01-05

  The present invention relates to a compound represented by Formula (I): (wherein Ar 1 represents an imidazolyl group which may be substituted with 1 to 3 substituents; Ar 2 represents a pyridinyl group, a pyrimidinyl group, or a phenyl group which may be substituted with 1 to 3 substituents; X 1 represents (1) —C≡C— or (2) a double bond etc. which may be substituted; R 1 and R 2 represent, for example, a C1-6 alkyl group or C3-8 cycloalkyl group which may be substituted) or a pharmacologically acceptable salt thereof and to the use thereof as pharmaceutical agents. The object of the present invention is to find a therapeutic or preventive agent for diseases caused by Aβ. According to the present invention, a therapeutic or preventive agents for diseases caused by Aβ can be provided.

  本发明涉及一种由式（I）表示的化合物：（其中Ar1代表可以被1到3个取代基取代的咪唑基团；Ar2代表可以被1到3个取代基取代的吡啶基团、嘧啶基团或苯基；X1代表（1）-C≡C-或（2）可以被取代的双键等；R1和R2代表，例如，可以被取代的C1-6烷基或C3-8环烷基等）或其药理学上可接受的盐，并且用作药物剂。本发明的目的是寻找一种治疗或预防由Aβ引起的疾病的药剂。根据本发明，可以提供治疗或预防由Aβ引起的疾病的药剂。
• Antinociceptive and antidepressant-like action of endomorphin-2 analogs with proline surrogates in position 2
  作者：Renata Perlikowska、Justyna Piekielna、Marzena Mazur、Robert Koralewski、Jacek Olczak、Jean-Claude do Rego、Jakub Fichna、Jakub Modranka、Tomasz Janecki、Anna Janecka

  DOI：10.1016/j.bmc.2014.06.056

  日期：2014.9

  locomotor activity. The antidepressant-like effect was reversed by the δ-selective antagonist, naltrindole (NLT) and κ-selective nor-binaltorphimine (nor-BNI). Thus, the experiments with selective opioid receptor antagonists revealed that analgesic action of analog 2a was mediated through the MOR, while the δ- and κ-receptors (DOR and KOR, respectively) were engaged in the antidepressant-like activity. Analog

  在我们努力开发具有抗伤害性和/或抗抑郁样活性的新候选药物的过程中，使用以下方法合成了两个新的内啡肽2（EM-2，Tyr-Pro-Phe-Phe-NH 2）类似物，其中2位含有脯氨酸替代物。市售外消旋的反式-4-苯基吡咯烷-3-羧酸（4-Ph-β-Pro）。通过HPLC分离获得的两种非对映异构体肽（2a和2b）的混合物，并且两种对映纯类似物都用于体外和体内研究。为了将绝对构型分配给两个肽中的4-Ph-β-Pro残基，（3 R，4 S进行）-4-苯基吡咯烷-3-羧酸，并将该对映异构体引入EM-2序列的2位。基于HPLC保留时间，我们能够指定两种肽类似物中4-Ph-β-Pro残基的绝对构型。模拟图2a掺入（3 - [R，4小号）-4-Ph-β-Pro残留物在脑室内（icv）给药后在小鼠中产生了强烈的镇痛作用，这种作用被μ阿片受体（MOR）拮抗剂β-氟苯胺（β-FNA）拮抗。这种类似物还影响了小鼠
• Spirohydantoin compounds and methods for the modulation of chemokine receptor activity
  申请人：Kong Chan Chun Laval

  公开号：US20060014769A1

  公开（公告）日：2006-01-19

  Novel compounds represented by formula (I): wherein R 1 , R 2 , R 3 and R 4 are as defined herein, and pharmaceutically acceptable salts, hydrates and solvates thereof, are useful for the modulation of CCR5 chemokine receptor activity.

  由公式(I)表示的新化合物：其中R1、R2、R3和R4如本文所定义，并且其药用可接受盐、水合物和溶剂合物对于调节CCR5趋化因子受体活性是有用的。
• Spiro compounds and methods for the modulation of chemokine receptor activity
  申请人：Kong Chan Chun Laval

  公开号：US20050070563A1

  公开（公告）日：2005-03-31

  Compounds of formula I wherein X, Y, Z, W, R 1 and R 2 as defined herein, or pharmaceutically acceptable salts, hydrates or solvates thereof, are useful for the modulation of CCR5 chemokine receptor activity.

  化合物I的公式如下，其中X、Y、Z、W、R1和R2如本文所定义，或其药学上可接受的盐、水合物或溶剂物，可用于调节CCR5趋化因子受体的活性。
• Cinnamide Compound
  申请人：Kimura Teiji

  公开号：US20080070902A1

  公开（公告）日：2008-03-20

  The present invention relates to a compound represented by Formula (I): (wherein Ar 1 represents an imidazolyl group which may be substituted with 1 to 3 substituents; Ar 2 represents a pyridinyl group, a pyrimidinyl group, or a phenyl group which may be substituted with 1 to 3 substituents; X 1 represents (1) —C≡C— or (2) a double bond etc. which may be substituted; R 1 and R 2 represent, for example, a C1-6 alkyl group or C3-8 cycloalkyl group which may be substituted) or a pharmacologically acceptable salt thereof and to the use thereof as pharmaceutical agents.

  本发明涉及一种由公式(I)表示的化合物：（其中Ar1代表一个咪唑基，可以用1到3个取代基取代；Ar2代表一个吡啶基，嘧啶基或苯基，可以用1到3个取代基取代；X1代表（1）-C≡C-或（2）一个双键等，可以用取代基取代；R1和R2代表例如C1-6烷基或C3-8环烷基，可以用取代基取代）或其药学上可接受的盐，并用作制药剂。