N-(2-hydroxyethyl)-N-methyl-3-phenylpropylamine | 37082-04-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(2-hydroxyethyl)-N-methyl-3-phenylpropylamine
• 英文别名: 2--ethan-1-ol；2-(methyl(3-phenylpropyl)amino)ethanol；2-[Methyl-(3-phenyl-propyl)-amino]-aethanol；2-[N-methyl-N-(3-phenylpropyl)amino]ethanol；2-[methyl(3-phenylpropyl)amino]ethanol
• CAS: 37082-04-5
• 化学式: C₁₂H₁₉NO
• mdl: MFCD16152104
• 分子量: 193.289
• InChiKey: CGKNVPPWAKNYMZ-UHFFFAOYSA-N

物化性质

• 沸点：
  1322.6-1323.0 °C(Press: 5 Torr)
• 密度：
  0.9883 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(2-hydroxyethyl)-N-methyl-3-phenylpropylamine 在 氯化亚砜 作用下， 生成 N-Methyl-N-(2-chlor-ethyl)-3-phenyl-propylamin
  参考文献：
  名称：

  止痛药。α-烷氧基二苯甲酸的碱性酰胺。

  摘要：

  DOI：

  10.1021/jm00341a018
• 作为产物：
  描述：

  N,4-dimethyl-N-(3-phenylpropyl)benzenesulfonamide 在 盐酸 作用下， 生成 N-(2-hydroxyethyl)-N-methyl-3-phenylpropylamine
  参考文献：
  名称：

  N-METHYL-N-PHENYLALKYL-AMINO-ALKYL BENZOATES AND PARA-AMINOBENZOATES

  摘要：

  DOI：

  10.1021/ja01355a065

文献信息

• Compounds having antidiabetic, hypolipidemic, antihypertensive
  申请人：Dr. Reddy's Research Foundation

  公开号：US05925656A1

  公开（公告）日：1999-07-20

  Thiazolidinediones of formula (I) their tautomeric forms, their derivatives, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutical compositions containing them having antidiabetic, hypolipidemic, and antihypertensive properties have been prepared. ##STR1##

  已经制备出具有抗糖尿病、降血脂和降血压性质的吡唑烷二酮化合物（I）及其互变异构体、衍生物、立体异构体、多晶形态、药用盐、药用溶剂化合物和含有它们的药物组合物。
• Thiazolidinedione derivatives having antidiabetic, hypolipidaemic antihypertensive properties, process for their preparation and pharmaceutical compositions containing them
  申请人：DR. REDDY'S RESEARCH FOUNDATION

  公开号：EP0801063A1

  公开（公告）日：1997-10-15

  A compound of the general formula (I), where A represents, substituted or unsunstituted unsaturated aliphatic, alicyclic, aromatic, heterocyclic groups, B represents a substituted or unsubstituted divalent alkylene or alkenyl group having 1 to 10 carbon atoms, wherein substituents may be present in one or more of the divalent alkylene or alkenyl groups, D represents a substituted or insubstituted divalent alkenyl, alkynyl, aralkyl alkoxycarbonyl or aryloxycarbonyl groups, X represents CH2, C=O, CH-OH, sulphur, oxygen, N-Y, where Y represents hydrogen, substituted or unsubstituted alkyl, aryl, aralkyl or acyl, Ar represents a divalent aromatic, single or fused ring system, with or without substituents, the ring may contain one or more hetero atoms selected from nitrogen, sulphur, or oxygen; R1 and R2 each represents hydrogen or together represent a bond either or both may be substituents or both together form a part of a ring. Methods for preparing the compound and pharmaceutical compositions containing a compound of formula (I).

  通式(I)的化合物、 其中 A 代表取代或未取代的不饱和脂肪族、脂环族、芳香族、杂环族基团，B 代表具有 1 至 10 个碳原子的取代或未取代的二价亚烷基或烯基，其中取代基可存在于一个或多个二价亚烷基或烯基之中，D 代表取代或未取代的二价烯基、炔基、芳烷基烷氧基羰基或芳氧基羰基，X 代表 CH2、C=O、CH-OH、硫、氧、烷氧基羰基、芳烷氧基羰基或芳氧基羰基、X代表CH2、C＝O、CH-OH、硫、氧、N-Y，其中Y代表氢、取代或未取代的烷基、芳基、芳烷基或酰基，Ar代表二价芳香族、单环或熔合环体系，带或不带取代基，环中可含有一个或多个选自氮、硫或氧的杂原子；R1 和 R2 各自代表氢，或共同代表键，或两者均为取代基，或两者共同构成环的一部分。制备化合物和含有式（I）化合物的药物组合物的方法。
• Deconstructing 14-phenylpropyloxymetopon: Minimal requirements for binding to mu opioid receptors
  作者：Lidiya Stavitskaya、Jihyun Shim、Jason R. Healy、Rae R. Matsumoto、Alexander D. MacKerell、Andrew Coop

  DOI：10.1016/j.bmc.2012.05.006

  日期：2012.7

  A series of phenylpropyloxyethylamines and cinnamyloxyethylamines were synthesized as deconstructed analogs of 14-phenylpropyloxymetopon and analyzed for opioid receptor binding affinity. Using the Conformationally Sampled Pharmacophore modeling approach, we discovered a series of compounds lacking a tyrosine mimetic, historically considered essential for mu opioid binding. Based on the binding studies, we have identified the optimal analogs to be N-methyl-N-phenylpropyl-2-(3-phenylpropoxy)ethanamine, with 1520 nM, and 2-(cinnamyloxy)-N-methyl-N-phenethylethanamine with 1680 nM affinity for the mu opioid receptor. These partial opioid structure analogs will serve as the novel lead compounds for future optimization studies. (C) 2012 Elsevier Ltd. All rights reserved.
• Thiazolidinedione derivatives having antidiabetic, hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them
  申请人：Dr. Reddy's Laboratories Ltd.

  公开号：EP0801063B1

  公开（公告）日：2003-01-15
• [EN] <99m>Tc - LABELLED SEROTONIN RECEPTOR BINDING SUBSTANCES<br/>[FR] SUBSTANCES DE LIAISON AU RECEPTEUR DE LA SEROTONINE, MARQUEES AU <99M>Tc
  申请人：MALLINCKRODT MEDICAL, INC.

  公开号：WO1996030054A1

  公开（公告）日：1996-10-03

  (EN) The invention relates to a zero-charged 99mTc - labelled substance having a serotonin receptor binding activity, wherein the serotonin receptor binding compound is represented by the general formula (I): L - A - B - E, wherein L is a chelating moiety selected from the group consisting of a tridentate/monodentate chelating combination; A is a 2- to 8-membered hydrocarbon biradical, wherein the carbon atoms may be interrupted by one or two heteroatoms selected from O and S; B is an N-(C1-C4) alkyl group, an NH group, or an optionally substituted piperidin-derived, piperazin-derived, morpholin-derived or pyrrolidin-derived biradical; and E is an aryl or heteroaryl group or wherein E together with B constitutes an optionally substituted 2,4-dihydroquinazolyl group; wherein said serotonin receptor binding compound is labelled with technetium-99m in the form of oxotechnetium (V), said technetium being attached to said compound by means of said chelating moiety. The invention also relates to a method of preparation of said labelled substance, a radiopharmaceutical composition comprising said labelled substance, a method for detecting and localizing tissues having serotonin receptors with the aid of said labelled substance and a kit for preparing a radiopharmaceutical composition containing said labelled substance.(FR) L'invention concerne une substance marquée au 99mTc à charge nulle, présentant une activité de liaison au récepteur de la sérotonine. Le composé de liaison au récepteur de la sérotonine est représenté par la formule générale (I) L - A - B - E, dans laquelle L est une fraction de chélation sélectionnée dans le groupe consistant en une combinaison de chélation tridentate/monodentate; A représente un biradical hydrocarbure à 2 à 8 éléments, les atomes de carbone pouvant être interrompus par un ou plusieurs hétéroatomes choisis parmi O et S; B représente un groupe N-alkyle(C1-C4), un groupe NH ou un biradical éventuellement substitué dérivé de pipéridine, de pipérazine, de morpholine ou de pyrrolidine; et E est un groupe aryle ou hétéroaryle, ou E conjointement avec B constitue un groupe 2,4-dihydroquinazolyle éventuellement substitué. Ledit composé de liaison au récepteur de la sérotonine est marqué avec du technétium-99m se présentant sous forme d'oxotechnétium (V) et attaché audit composé par ladite fraction de chélation. L'invention concerne également une méthode de préparation de ladite substance marquée, une composition radiopharmaceutique comprenant ladite substance, une méthode de détection et de localisation de tissus à récepteurs de sérotonine à l'aide desdites substances marquées et une trousse de préparation d'une composition radiopharmaceutique contenant ladite substance marquée.