1-(2,6-dimethylphenoxy)-N-ethylpropan-2-amine | 194027-20-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(2,6-dimethylphenoxy)-N-ethylpropan-2-amine
• 英文别名: Racemic [2-(2,6-dimethylphenoxy)-1-methylethyl]-ethylamine
• CAS: 194027-20-8
• 化学式: C₁₃H₂₁NO
• 分子量: 207.316
• InChiKey: GOQPODADKJNOFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2,6-dimethylphenoxy)-N-ethylpropan-2-amine 在 盐酸 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 1-(2,6-dimethylphenoxy)-N-ethylpropan-2-amine hydrochloride
  参考文献：
  名称：

  Antiarrhythmic Hit to Lead Refinement in a Dish Using Patient-Derived iPSC Cardiomyocytes

  摘要：

  DOI：

  10.1021/acs.jmedchem.0c01545
• 作为产物：
  描述：

  2,6-二甲基苯酚 在 sodium cyanoborohydride 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 23.0h， 生成 1-(2,6-dimethylphenoxy)-N-ethylpropan-2-amine
  参考文献：
  名称：

  Antiarrhythmic Hit to Lead Refinement in a Dish Using Patient-Derived iPSC Cardiomyocytes

  摘要：

  DOI：

  10.1021/acs.jmedchem.0c01545

文献信息

• Compositions and methods for inhibiting pain
  申请人：Bergeron J. Raymond

  公开号：US20060160905A1

  公开（公告）日：2006-07-20

  A method and pharmaceutical composition for ameliorating pain in a human or non-human mammal suffering therefrom based on an antinociceptive amine having the formula: wherein: Z is H or OH, is phenyl or cyclohexyl, R and R 1 are the same or different and may be H or linear or branched chain alkyl having 1 to 8 carbon atoms, m is an integer from 0 to 10, inclusive and wherein the amine exhibits a mean reduction in abdominal writhings exhibited by mice in the standard acetic acid-induced visceral pain mouse model of at least 20%; a mixture of the amines; a derivative, salt or complex of the amine wherein the derivative, salt or complex former is physiologically acceptable and the formation of said salt, derivative or complex does not materially affect the pain amelioration properties of the amine; a mixture of the derivatives, salts and/or complexes or a prodrug that provides the amine, mixture of the amines, the derivative, salt or complex, or a mixture of the derivatives, salts and/or complexes.

  一种用于改善人类或非人类哺乳动物疼痛的方法和药物组合物，基于具有以下结构的抗痛胺：其中：Z为H或OH，是苯基或环己基，R和R1相同或不同，可以是H或线性或支链烷基，碳原子数为1到8，m为0到10的整数，其中该胺在标准乙酸诱导腹部疼痛小鼠模型中表现出的腹部扭曲平均减少至少20％；一种胺的混合物；该胺的衍生物、盐或复合物，其中所述衍生物、盐或复合物前体在生理上可接受，且所述盐、衍生物或复合物的形成对该胺的疼痛改善性能没有实质影响；衍生物、盐和/或复合物的混合物或提供该胺、胺的混合物、衍生物、盐或复合物的前药，或衍生物、盐和/或复合物的混合物。
• Treatment of neuropathic pain
  申请人：Syntex (U.S.A.) Inc.

  公开号：US05688830A1

  公开（公告）日：1997-11-18

  This invention relates to a compound of the Formula I: ##STR1## as a racemic mixture and its individual enantiomers, in particular the (R)-enantiomer, and their pharmaceutically acceptable salts. These compounds are useful as sodium channel blockers, and are particularly useful for the alleviation of neuropathic pain.

  本发明涉及公式I的化合物：##STR1## 作为外消旋混合物及其各个对映体，特别是（R）-对映体及其药学上可接受的盐。这些化合物可用作钠通道阻滞剂，特别适用于缓解神经病性疼痛。
• Method and composition for amelioration of pain
  申请人：Bergeron J. Raymond

  公开号：US20050113455A1

  公开（公告）日：2005-05-26

  A composition, method and article of manufacture for the amelioration of pain comprising: a polyamine having the formula: R 1 R 2 N 1 —A—[N 2 R 3 —B] a —[N 3 R 4 —C] b —N 4 R 5 R 6 wherein: R 1 -R 6 may be the same or different and are alkyl, aryl, aryl alkyl, cycloalkyl, optionally having an alkyl chains interrupted by at least one etheric oxygen atom, or hydrogen; N 1 -N 4 are nitrogen atoms capable of protonation at physiological pH's; a and b may be the same or different and are integers from 0 to 4; A, B and C may be the same or different and are bridging groups which effectively maintain the distance between the nitrogen atoms such that the polyamine: (i) is capable of uptake by a target cell upon administration of the polyamine to a human or non-human animal; and (ii) upon uptake by the target cell, competitively binds via an electrostatic interaction between the positively charged nitrogen atoms to substantially the same biological counter-anions as the intra-cellular natural polyamines in the target cell; the polyamine, upon binding to the biological counter-anion in the cell, functions to alleviate pain; a mixture of the amines; a derivative, salt or complex of the amine wherein the derivative, salt or complex former is physiologically acceptable and the formation of the salt, derivative or complex does not materially affect the pain amelioration properties of the amine; a mixture of the derivatives, salts and/or complexes, or a prodrug that provides the amine, mixture of the amines, the derivative, salt or complex or mixture of the derivatives, salts and/or complexes.

  一种用于改善疼痛的组合物、方法和制造品，包括：具有以下式子的多胺： R 1 R 2 N 1 -A-[N 2 R 3 -B] a -[N 3 R 4 -C] b -N 4 R 5 R 6 其中 R 1 -R 6 可以相同或不同，并且是烷基、芳基、芳基烷基、环烷基（可选择烷基链被至少一个醚氧原子打断）或氢； N 1 -N 4 是在生理 pH 值下能够质子化的氮原子；a 和 b 可以相同或不同，是 0 至 4 的整数；A、B 和 C 可以相同或不同，是桥基，可有效保持氮原子间的距离，从而使多胺：(i) 在对人或非人动物施用多胺后，能够被靶细胞吸收；以及 (ii) 在被靶细胞吸收后，通过带正电荷的氮原子之间的静电相互作用，竞争性地与靶细胞中与细胞内天然多胺基本相同的生物反负离子结合；多胺在与细胞中的生物反负离子结合后，起到减轻疼痛的作用；胺的混合物；胺的衍生物、盐或络合物，其中前者的衍生物、盐或络合物是生理上可接受的，并且盐、衍生物或络合物的形成不会对胺的止痛特性产生实质性影响；衍生物、盐和/或络合物的混合物，或提供胺、胺的混合物、衍生物、盐或络合物或衍生物、盐和/或络合物的混合物的原药。
• TAFUSA, FUDZIO;EHJ, KADZUESI;TSUTSUI, XIRONORI
  作者：TAFUSA, FUDZIO、EHJ, KADZUESI、TSUTSUI, XIRONORI

  DOI：——

  日期：——
• SUBSTITUTED 2-BENZYLAMINO-2-PHENYL-ACETAMIDE COMPOUNDS
  申请人：Newron Pharmaceuticals S.p.A.

  公开号：EP1044186B1

  公开（公告）日：2006-03-08