2-(2-萘-1-基乙氧基)乙酸 | 227807-93-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 2-(2-萘-1-基乙氧基)乙酸
• 英文名称: 2-(2-(naphthalene-1-yl)ethoxy)acetic acid
• 英文别名: (2-naphthalen-1-yl-ethoxy)-acetic acid；[2-(Naphthalen-1-yl)ethoxy]acetic acid；2-(2-naphthalen-1-ylethoxy)acetic acid
• CAS: 227807-93-4
• 化学式: C₁₄H₁₄O₃
• 分子量: 230.263
• InChiKey: JBJBELKWBBJHDW-UHFFFAOYSA-N

物化性质

• 沸点：
  436.5±20.0 °C(Predicted)
• 密度：
  1.209±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-萘-1-基乙氧基)乙酸 在 dimethyl sulfide borane 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 3.5h， 生成 2-(2-(naphthalene-1-yl)ethoxy)ethyl methanesulfonate
  参考文献：
  名称：

  Synthesis and inhibitory evaluation of 3-linked imipramines for the exploration of the S2 site of the human serotonin transporter

  摘要：

  The human serotonin transporter is the primary target of several antidepressant drugs, and the importance of a primary, high affinity binding site (S1) for antidepressant binding is well documented. The existence of a lower affinity, secondary binding site (S2) has, however, been debated. Herein we report the synthesis of 3-position coupled imipramine ligands from clomipramine using a copper free Sonogashira reaction. Ligand design was inspired by results from docking and steered molecular dynamics simulations, and the ligands were utilized in a structure-activity relationship study of the positional relationship between the S1 and S2 sites. The computer simulations suggested that the S2 site does indeed exist although with lower affinity for imipramine than observed within the S1 site. Additionally, it was possible to dock the 3-linked imipramine analogs into positions which occupy the S1 and the S2 site simultaneously. The structure activity relationship study showed that the shortest ligands were the most potent, and mutations enlarging the proposed S2 site were found to affect the larger ligands positively, while the smaller ligands were mostly unaffected. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2016.04.039
• 作为产物：
  描述：

  氯乙酸 在 sodium hydride 、 盐酸 作用下， 以 N,N-二甲基甲酰胺 、 水 为溶剂， 反应 0.67h， 生成 2-(2-萘-1-基乙氧基)乙酸
  参考文献：
  名称：

  WO2007/27134

  摘要：

  公开号：

文献信息

• 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists
  申请人：Bailey Andrew

  公开号：US20090221653A1

  公开（公告）日：2009-09-03

  The present invention provides compounds of formula (I) wherein the variables are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了式（I）化合物，其中变量如规范中定义，其制备过程，包含它们的制药组合物以及它们在治疗中的使用。
• ALKYL ETHER DERIVATIVES OR SALTS THEREOF
  申请人：Saitoh Akihito

  公开号：US20090111992A1

  公开（公告）日：2009-04-30

  An alkyl ether derivative represented by the general formula: wherein each of R 1 and R 2 represents one or more groups selected from a hydrogen atom, a halogen atom, an alkyl group, an aryl group, an aralkyl group, an alkoxy group, an aryloxy group, an alkylthio group, an arylthio group, an alkenyl group, an alkenyloxy group, an amino group, an alkylsulfonyl group, an arylsulfonyl group, a carbamoyl group, a heterocyclic group, a hydroxyl group, a carboxyl group, a nitro group, an oxo group and the like; R 3 is an alkylamino group, an amino group, a hydroxyl group or the like; the ring A is a 5-membered or 6-membered heteroaromatic ring or a benzene ring; each of m and n is an integer of 1 to 6; and p is an integer of 1 to 3, or its salt has activity to protect neurons, activity to accelerate nerve regeneration and activity to accelerate neurite extension and hence is useful as a therapeutic agent for diseases in central and peripheral nerves.

  一种由通式表示的烷基醚衍生物：其中R1和R2分别表示氢原子、卤素原子、烷基、芳基、芳基烷基、烷氧基、芳氧基、烷硫基、芳硫基、烯基、烯氧基、氨基、烷基磺酰基、芳基磺酰基、氨基甲酰基、杂环基、羟基、羧基、硝基、氧代基等一种或多种基团；R3为烷基氨基、氨基、羟基等一种或多种基团；环A为5元或6元杂芳环或苯环；m和n均为1至6的整数；p为1至3的整数，或其盐具有保护神经元、加速神经再生和加速神经突起延伸的活性，因此可用作中枢和周围神经疾病的治疗剂。
• US7468443B2
  申请人：——

  公开号：US7468443B2

  公开（公告）日：2008-12-23
• US8129535B2
  申请人：——

  公开号：US8129535B2

  公开（公告）日：2012-03-06
• USRE43676E1
  申请人：——

  公开号：USRE43676E1

  公开（公告）日：2012-09-18