(3-乙氧基苯基)-N-甲基甲胺 | 893581-62-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (3-乙氧基苯基)-N-甲基甲胺
• 中文别名: (3-乙氧基苄基)甲基胺1HCL
• 英文名称: (3-Ethoxyphenyl)-N-methylmethanamine
• 英文别名: 1-(3-ethoxyphenyl)-N-methylmethanamine
• CAS: 893581-62-9
• 化学式: C₁₀H₁₅NO
• mdl: MFCD07405834
• 分子量: 165.235
• InChiKey: DRWAPJMNVGBJDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2922299090

反应信息

• 作为反应物：
  描述：

  (3-乙氧基苯基)-N-甲基甲胺 在 sodium tetrahydroborate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 19.5h， 生成 2-[(3-Ethoxyphenyl)methyl-methylamino]-1-phenylethanol
  参考文献：
  名称：

  4-Phenyl tetrahydroisoquinolines as dual norepinephrine and dopamine reuptake inhibitors

  摘要：

  Novel 4-phenyl tetrahydroisoquinolines that inhibit both dopamine and norepinephrine transporters were designed and prepared. In this Letter, we describe the synthesis, in vitro activity and associated structure-activity relationships of this series. We also report the ex vivo NET occupancy of a representative compound, 41. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.050
• 作为产物：
  描述：

  3-乙氧基苯甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 、 水 为溶剂， 反应 2.83h， 生成 (3-乙氧基苯基)-N-甲基甲胺
  参考文献：
  名称：

  4-Phenyl tetrahydroisoquinolines as dual norepinephrine and dopamine reuptake inhibitors

  摘要：

  Novel 4-phenyl tetrahydroisoquinolines that inhibit both dopamine and norepinephrine transporters were designed and prepared. In this Letter, we describe the synthesis, in vitro activity and associated structure-activity relationships of this series. We also report the ex vivo NET occupancy of a representative compound, 41. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.050

文献信息

• TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160152628A1

  公开（公告）日：2016-06-02

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective ROCK inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating cardiovascular, smooth muscle, oncologic, neuropathologic, autoimmune, fibrotic, and/or inflammatory disorders using the same.

  本发明提供了式（I）的化合物：或其立体异构体，互变异构体或药学上可接受的盐，其中所有变量如本文所定义。这些化合物是选择性ROCK抑制剂。本发明还涉及包含这些化合物的制药组合物以及使用它们治疗心血管，平滑肌，肿瘤，神经病理，自身免疫，纤维化和/或炎症性疾病的方法。
• Pyrazole inhibitors of HMG-CoA reductase: An attempt to dramatically reduce synthetic complexity through minimal analog re-design
  作者：Scott D. Larsen、Toni-Jo Poel、Kevin J. Filipski、Jeffrey T. Kohrt、Jeffrey A. Pfefferkorn、Roderick J. Sorenson、Bradley D. Tait、Valerie Askew、Lisa Dillon、Jeffrey C. Hanselman、Gina H. Lu、Andrew Robertson、Catherine Sekerke、Mark C. Kowala、Bruce J. Auerbach

  DOI：10.1016/j.bmcl.2007.08.004

  日期：2007.10

  An extraordinarily potent and hepatoselective class of HMG-CoA reductase inhibitors containing a pyrazole core was recently reported; however, its development was hampered by a long and difficult synthetic route. We attempted to circumvent this obstacle by preparing closely related analogs wherein the key dihydroxyheptanoic acid sidechain was tethered to the pyrazole core via an oxygen linker ('oxypyrazoles'). This minor change reduced the total number of synthetic steps from 14 to 7. Although the resulting analogs maintained much of the in vitro and cell activity of the pyrazoles, inferior in vivo activity precluded further development. Caco-2 cell permeability data suggest that enhanced cellular efflux of the oxypyrazoles relative to the pyrazoles may be responsible for the poor in vivo activity. (c) 2007 Elsevier Ltd. All rights reserved.
• [EN] OXYPYRAZOLE HMG Co-A REDUCTASE INHIBITORS<br/>[FR] INHIBITEURS OXYPYRAZOLE DE L'ENZYME HMG CO-A REDUCTASE
  申请人：WARNER LAMBERT CO

  公开号：WO2006087630A2

  公开（公告）日：2006-08-24

  [EN] Novel compounds and pharmaceutical compositions useful as hypocholesterolemic and hypolipidemic agents are described. More specifically, potent inhibitors of the enzyme 3-hydroxy-3-methylglutaryl-coenzyme A reductase ("HMG CoA reductase") are described. Method of using such compounds and compositions to treat subjects, including humans, suffering from hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, atherosclerosis, Alzheimer's Disease, benign prostatic hypertrophy (BPH), diabetes and osteoporosis are also described.
  [FR] L'invention concerne de nouveaux composés et de nouvelles compositions pharmaceutiques qui peuvent servir d'agents hypocholestérolémiants et hypolipidémiants. Cette invention se rapporte de manière plus spécifique à des inhibiteurs puissants de l'enzyme 3-hydroxy-3-méthylglutaryl-coenzyme A réductase ( HMG CoA réductase ). La présente invention concerne par ailleurs des procédés d'utilisation de ces composés et de ces compositions pour traiter des sujets, y compris des êtres humains souffrant d'hyperlipidémie, d'hypercholestérolémie, d'hypertriglycéridémie, d'athérosclérose, de la maladie d'Alzheimer, d'une hypertrophie prostatique bénigne (BPH), de diabète, et d'ostéoporose.
• 4-Phenyl tetrahydroisoquinolines as dual norepinephrine and dopamine reuptake inhibitors
  作者：Anthony D. Pechulis、James P. Beck、Matt A. Curry、Mark A. Wolf、Arthur E. Harms、Ning Xi、Chet Opalka、Mark P. Sweet、Zhicai Yang、A. Samuel Vellekoop、Andrew M. Klos、Peter J. Crocker、Carla Hassler、Mia Laws、Douglas B. Kitchen、Mark A. Smith、Richard E. Olson、Shuang Liu、Bruce F. Molino

  DOI：10.1016/j.bmcl.2012.09.050

  日期：2012.12

  Novel 4-phenyl tetrahydroisoquinolines that inhibit both dopamine and norepinephrine transporters were designed and prepared. In this Letter, we describe the synthesis, in vitro activity and associated structure-activity relationships of this series. We also report the ex vivo NET occupancy of a representative compound, 41. (C) 2012 Elsevier Ltd. All rights reserved.