(2,5-dimethoxy-phenethyl)-methyl-amine | 3489-95-0

• 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: (2,5-dimethoxy-phenethyl)-methyl-amine
• 英文别名: (2,5-Dimethoxy-phenaethyl)-methyl-amin；2,5-Dimethoxy-N-methylphenethylamine；2-(2,5-dimethoxyphenyl)-N-methylethanamine
• CAS: 3489-95-0
• 化学式: C₁₁H₁₇NO₂
• 分子量: 195.261
• InChiKey: PIGIFXLLTQEIPK-UHFFFAOYSA-N

物化性质

• 沸点：
  290.2±25.0 °C(Predicted)
• 密度：
  0.998±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2,5-dimethoxy-phenethyl)-methyl-amine 在 氢溴酸 作用下， 生成 1-甲基-1H-吲哚-5-醇
  参考文献：
  名称：

  羟色胺。第二部分 毒扁豆碱的新合成

  摘要：

  DOI：

  10.1039/jr9540003651
• 作为产物：
  描述：

  3-(2,5-二甲氧苯基)丙酸 在 sodium hypochlorite 、 氨 、 苯甲醛 作用下， 生成 (2,5-dimethoxy-phenethyl)-methyl-amine
  参考文献：
  名称：

  HYDROXY- AND DIHYDROXYPHENYLETHYLMETHYLAMINES AND THEIR ETHERS

  摘要：

  DOI：

  10.1021/ja01348a024

文献信息

• Synthetic Analogs of Oxytocic Drugs. I. Phenethyl β-Alanine Derivatives
  作者：Richard. Baltzly、Vladimir. Dvorkovitz、Arthur P. Phillips

  DOI：10.1021/ja01172a009

  日期：1949.4

  known to shift from the 5-10 to the 9-10 position in transformations between the lysergic and isolysergic acid families of the ergot alkaloids. The contributions of the wrious portions of the molecule to its physiological activity are not known, although some information is available. The other ergot alkaloids, in which the group R is replaced by complex cyclic structures, manifest very different physiological

  重要的天然催产药麦角新碱（麦角新碱、麦角新碱）已被指定为结构 I（R = NHCH(CH3)CH20Ha），其中虚线表示双键位置的现有不确定性 4麦角生物碱的麦角酸和异麦角酸家族之间的转换中的 5-10 到 9-10 位置。尽管可以获得一些信息，但尚不清楚分子的复杂部分对其生理活性的贡献。其他麦角生物碱，其中 R 基团被复杂的环状结构取代，表现出非常不同的生理行为，基本上不具有催产特性。Stoll 和 Hofmann5 已经制备了许多麦角新碱类似物和同系物，其中 2-氨基-1 丙醇被其他链烷醇胺取代。其中许多与麦角新碱和α-麦角酸二乙酰胺的活性大致相同。与上一个发现相反，Smith 和 Timmis6 报告称，麦角蛋白和异麦角蛋白（I，R = NH2）都只有残留活性。似乎没有测试过麦角酸的其他衍生物。自 Kharasch 以来，双键显然不是至关重要的？声称对二氢化合物具有治疗功效。另一方面
• C-PHENYL GLYCITOL COMPOUND
  申请人：Kakinuma Hiroyuki

  公开号：US20100022460A1

  公开（公告）日：2010-01-28

  Provided is a novel C-phenyl glycitol compound that may serve as a prophylactic or therapeutic agent for diabetes by inhibiting both SGLT1 activity and SGLT2 activity, thereby exhibiting a glucose absorption suppression action and a urine glucose excretion action. A C-phenyl glycitol compound represented by Formula (I) below or a pharmaceutically acceptable salt thereof or a hydrate thereof wherein R 1 and R 2 are the same or different and represent a hydrogen atom, a hydroxyl group, a C 1-6 alkyl group, a C 1-6 alkoxy group or a halogen atom, R 3 is a hydrogen atom, a C 1-6 alkyl group, a C 1-6 alkoxy group or a halogen atom, Y is a C 1-6 alkylene group, —O—(CH 2 )n— (n is an integer of 1 to 4) or a C 2-6 alkenylene group, provided that when Z is —NHC(═NH)NH 2 or —NHCON(R B )R C , n is not 1, Z is —CONHR A , —NHC(═NH)NH 2 or —NHCON(R B )R C ,

  提供的是一种新型C-苯基甘露醇化合物，可以作为预防或治疗糖尿病的药物，通过抑制SGLT1活性和SGLT2活性，从而表现出抑制葡萄糖吸收和尿液葡萄糖排泄的作用。该化合物表示为以下式子（I）的C-苯基甘露醇化合物，或其药学上可接受的盐或水合物，其中R1和R2相同或不同，表示氢原子、羟基、C1-6烷基、C1-6烷氧基或卤素原子，R3表示氢原子、C1-6烷基、C1-6烷氧基或卤素原子，Y表示C1-6烷基、-O-(CH2)n-（n为1至4的整数）或C2-6烯基烷基，但当Z为-NHC（=NH）NH2或-NHCON（RB）RC时，n不为1，Z为CONHRA，-NHC（=NH）NH2或-NHCON（RB）RC。
• CINNAMIDE COMPOUND
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1757591A1

  公开（公告）日：2007-02-28

  The present invention relates to a compound represented by Formula (I): (wherein Ar1 represents an imidazolyl group which may be substituted with 1 to 3 substituents; Ar2 represents a pyridinyl group, a pyrimidinyl group, or a phenyl group which may be substituted with 1 to 3 substituents; X1 represents (1) -C≡C- or (2) a double bond etc. which may be substituted; R1 and R2 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.

  本发明涉及一种由式（I）表示的化合物： (其中Ar1代表可被1至3个取代基取代的咪唑基；Ar2代表可被1至3个取代基取代的吡啶基、嘧啶基或苯基；X1代表(1)-C≡C-或(2)可被取代的双键等；R1和R2代表例如可被取代的C1-6烷基或C3-8环烷基）或其药理学上可接受的盐，以及其作为药剂的用途。
• Immunoassay for phenethylamines of the 2C and DO sub-families
  申请人：Randox Laboratories Limited

  公开号：US10775394B2

  公开（公告）日：2020-09-15

  Immunoassay methods and their requisite components for the detection and determination of phenethylamines of the 2C and DO sub-families are described.

  介绍了用于检测和测定 2C 和 DO 亚家族苯乙胺的免疫测定方法及其必要成分。
• Synthesis, in Vitro Activity, and Three-Dimensional Quantitative Structure−Activity Relationship of Novel Hydrazine Inhibitors of Human Vascular Adhesion Protein-1
  作者：Elisa M. Nurminen、Marjo Pihlavisto、László Lázár、Zsolt Szakonyi、Ulla Pentikäinen、Ferenc Fülöp、Olli T. Pentikäinen

  DOI：10.1021/jm100337z

  日期：2010.9.9

  Vascular adhesion protein-1 (VAP-1) belongs to the semicarbazide-sensitive amine oxidases (SSAOs) that convert amines into aldehydes. SSAOs are distinct from the mammalian monoamine oxidases (MAOs), but their substrate specificities are partly overlapping. VAP-1 has been proposed as a target for anti-inflammatory drug therapy because of its role in leukocyte adhesion to endothelium. Here, we describe the synthesis and in vitro activities of novel series of VAP-1 selective inhibitors. In addition, the molecular dynamics simulations performed for VAP-1 reveal that the movements of Met211, Ser496, and especially Leu469 can enlarge the ligand-binding pocket, allowing larger ligands than those seen in the crystal structures to bind. Combining the data from molecular dynamics simulations, docking, and in vitro measurements, the three-dimensional quantitative structure-activity relationship (3D QSAR) models for VAP-1 (q(LOO)(2): 0.636; r(2:) 0.828) and MAOs (q(LOO)(2): 0.749, r(2): 0.840) were built and employed in the development of selective VAP-1 inhibitors.