N-苄基-4-羟基苯基乙酰胺 | 120271-79-6

• 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: N-苄基-4-羟基苯基乙酰胺
• 英文名称: N-benzyl-2-(4-hydroxy-phenyl)-acetamide
• 英文别名: N-Benzyl-4-hydroxyphenylacetamide；N-benzyl-2-(4-hydroxyphenyl)acetamide
• CAS: 120271-79-6
• 化学式: C₁₅H₁₅NO₂
• mdl: MFCD26398752
• 分子量: 241.29
• InChiKey: SRLAGMQXPJLLIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-苄基-4-羟基苯基乙酰胺 生成 2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)-N-phenylacetamide
  参考文献：
  名称：

  LAVIELLE, GILBERT;LEPAGNOL, JEAN

  摘要：

  DOI：
• 作为产物：
  描述：

  苯并呋喃-2(3H)-酮 生成 N-苄基-4-羟基苯基乙酰胺
  参考文献：
  名称：

  LAVIELLE, GILBERT;LEPAGNOL, JEAN

  摘要：

  DOI：

文献信息

• [EN] BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY<br/>[FR] DERIVES DE BENZOTHIAZOLE AYANT UNE ACTIVITE D'AGONISTE DU BETA-2-ADRENORECEPTEUR
  申请人：NOVARTIS AG

  公开号：WO2004016601A1

  公开（公告）日：2004-02-26

  Compounds of Formula (I) in free or salt or solvate form, wherein X has the meaning indicated in the specification, are useful for treating conditions that are prevented or alleviated by activation of the ß2-adrenoreceptor. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  公式(I)中的化合物以自由形式、盐或溶剂形式存在，其中X具有规范中指示的含义，可用于治疗通过激活β2-肾上腺素受体预防或缓解的症状。还描述了含有这些化合物的药物组合物以及制备这些化合物的方法。
• Acetamides derived from 2,3-dihydro-3-phenyl-2-benzofuranone
  申请人：Adir Et Cie

  公开号：US04812469A1

  公开（公告）日：1989-03-14

  The invention relates to new acetamides derived from 2,3-dihydro-3-phenyl-2-benzofuranone, of general formula I ##STR1## in which: R.sub.1 denotes a hydrogen or halogen atom, R.sub.2 and R.sub.3, which may be identical or different, each denote a hydrogen atom or a linear or branched alkyl radical containing 1 to 4 carbon atoms, a benzyl radical optionally substituted with a halogen atom, with an alkoxy radical containing 1 to 4 carbon atoms or with an alkyl radical having 1 to 4 carbon atoms, or a 3,4-methylenedioxybenzyl radical, or form, together with the nitrogen to which they are attached, a 4-morpholinyl radical or a 1-piperazinyl radical.

  该发明涉及从2,3-二氢-3-苯基-2-苯并呋喃酮衍生的新乙酰胺，其一般式为I： 在该式中：R.sub.1代表氢或卤素原子，R.sub.2和R.sub.3，可以相同也可以不同，每个代表含有1至4个碳原子的线性或支链烷基基团、可能用卤素原子取代的苄基基团、含有1至4个碳原子的烷氧基基团或含有1至4个碳原子的烷基基团，或3,4-亚甲二氧基苄基基团，或与它们附着的氮一起形成4-吗啉基基团或1-哌嗪基团。
• Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity
  申请人：Cuenoud Bernard

  公开号：US20060106075A1

  公开（公告）日：2006-05-18

  Compounds of formula (I) in free or salt or solvate form, wherein X has the meaning indicated in the specification, are useful for treating conditions that are prevented or alleviated by activation of the β 2 -adrenoreceptor. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  式(I)的化合物，包括自由形式、盐形式或溶剂合物形式，其中X的含义如规范中所示，可用于治疗通过激活β2-肾上腺素能受体预防或缓解的疾病。还描述了包含该化合物的制药组合物和制备该化合物的过程。
• ORGANIC COMPOUNDS
  申请人：CUENOUD Bernard

  公开号：US20150065490A1

  公开（公告）日：2015-03-05

  Compounds of formula I in free or salt or solvate form, wherein X has the meaning indicated in the specification, are useful for treating conditions that are prevented or alleviated by activation of the β 2 -adrenoreceptor. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  公式I的化合物，无论是自由形式、盐形式或溶剂形式，其中X的意义在说明书中指示，可用于治疗通过激活β2-肾上腺素受体预防或缓解的疾病。还描述了含有这些化合物的制药组合物以及制备这些化合物的过程。
• The identification of 7-[(R)-2-((1S,2S)-2-benzyloxycyclopentylamino)-1-hydroxyethyl]-4-hydroxybenzothiazolone as an inhaled long-acting β2-adrenoceptor agonist
  作者：Nicola Arnold、David Beattie、Michelle Bradley、Andrew Brearley、Lyndon Brown、Steven J. Charlton、Robin A. Fairhurst、David Farr、John Fozard、Joe Fullerton、Martin Gosling、Julia Hatto、Diana Janus、Darryl Jones、Lynne Jordan、Christine Lewis、Janet Maas、Clive McCarthy、Mark Mercer、Helen Oakman、Neil Press、Rachel Profit、Friedrich Schuerch、David Sykes、Roger J. Taylor、Alexandre Trifilieff、Andrew Tuffnell

  DOI：10.1016/j.bmcl.2014.06.014

  日期：2014.9

  The optimisation of two series of 4-hydroxybenzothiazolone derived β2-adrenoceptor agonists, bearing α-substituted cyclopentyl and β-phenethyl amino-substituents, as inhaled long-acting bronchodilators is described. Analogues were selected for synthesis using a lipophilicity based hypothesis to achieve the targeted rapid onset of action in combination with a long duration of action. The profiling of the two series led to identification of the α-substituted cyclopentyl analogue 2 as the optimal compound with a comparable profile to the inhaled once-daily long-acting β2-adrenoceptor agonist indacaterol. On the basis of these data 2 was promoted as the backup development candidate to indacaterol from the Novartis LABA project.