3-(1-hydroxyethyl)benzamide | 212374-05-5

• 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: 3-(1-hydroxyethyl)benzamide
• CAS: 212374-05-5
• 化学式: C₉H₁₁NO₂
• 分子量: 165.192
• InChiKey: FNBVZXZMVMBERL-UHFFFAOYSA-N

物化性质

• 沸点：
  329.4±25.0 °C(Predicted)
• 密度：
  1.186±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(1-hydroxyethyl)benzamide 在 氯化亚砜 、 N,N-二乙基苯胺 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到3-(1-chloroethyl)benzamide
  参考文献：
  名称：

  WO2006/107257

  摘要：

  公开号：
• 作为产物：
  描述：

  3-(2-溴乙酰基)苯甲腈 在 sodium hydroxide 、 sodium tetrahydroborate 、 双氧水 、 potassium acetate 、 sodium iodide 作用下， 以 乙醇 、 水 为溶剂， 反应 8.5h， 生成 3-(1-hydroxyethyl)benzamide
  参考文献：
  名称：

  Synthesis of 3-Substituted Benzamides and 5-Substituted Isoquinolin-1(2H)-ones and Preliminary Evaluation as Inhibitors of Poly(ADP-ribose)polymerase (PARP)

  摘要：

  Inhibitors of poly(ADP-ribose)polymerase (PARP) inhibit repair of damaged DNA and thus potentiate radiotherapy and chemotherapy of cancer. 3-Substituted benzamides and 5-substituted isoquinolin-1-ones have been synthesised and evaluated for inhibition of PARP. Reduction of 3-(bromoacetyl)benzamide, followed by treatment with base, gave RS-3-oxiranylbenzamide. Reduction of 3-(hydroxyacetyl)benzonitrile with bakers' yeast gave 'the R-diol which was converted to R-3-(1,2-dihydroxyethyl)benzamide. Similar reduction of 3-(acetoxyacetyl)benzonitrile led towards the S-diol which was converted to its cyclic acetonide. E-2-(2,6-Dicyanophenyl)-N,N-dimethylethenamine was formed by condensation of 2,6-dicyanotoluene with dimethylformamide dimethyl acetal (DMFDMA); cyclisation under acidic conditions afforded 5-cyanoisoquinolin-1-one. Heck coupling of 5-iodoisoquinolin-1-one with propenoic acid formed E-3-(1-oxoisoquinolin-5-yl)propenoic acid. 3-Oxiranylbenzamide, 5-bromoisoquinolin-1-one and 5-iodoisoquinolin-1-one were among the most potent inhibitors of PARP activity in a preliminary screen in vitro. (C) 1998 Elsevier Science Ltd, All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00029-7

文献信息

• Furo- and Thieno [3,2-c] Pyridines
  申请人：Li An-Hu

  公开号：US20090197864A1

  公开（公告）日：2009-08-06

  Furo[3,2-c]Pyridine and Thieno[3,2-c]pyridine compounds of Formula I, and pharmaceutically acceptable salts thereof, preparation, intermediates, pharmaceutical compositions, and use, such as in disease treatment, including cancers, including conditions in which EMT is involved, including conditions mediated by protein kinase activity such as RON and/or MET.

  Furo[3,2-c]吡啶和Thieno[3,2-c]吡啶的化合物I的制备、中间体、药用可接受的盐、药物组合物以及用途，例如在疾病治疗中的应用，包括癌症，包括涉及EMT的疾病，包括由蛋白激酶活性介导的疾病，如RON和/或MET。
• [EN] NAPHTHALINE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS<br/>[FR] DERIVES DE LA NAPHTALINE UTILISES COMME LIGANDS DU RECEPTEUR 3 DE L'HISTAMINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005117865A1

  公开（公告）日：2005-12-15

  The present invention relates to compounds of formula (I) wherein A, R1 and R2 are as defined in the description and claims, and pharmaceutically acceptable salts thereof, to the preparation of such compounds and pharmaceutical compositions containing them. The compounds are useful for the treatment and/or prevention of diseases which are associated with the modulation of H3 receptors.

  本发明涉及式（I）的化合物，其中A，R1和R2如描述和索赔中所定义，以及其药学上可接受的盐，以及制备这些化合物和含有它们的药物组合物。这些化合物可用于治疗和/或预防与H3受体调节相关的疾病。
• Pharmaceutical use of substituted amides
  申请人：Andersen Sune Henrik

  公开号：US20060111366A1

  公开（公告）日：2006-05-25

  The use of substituted amides for modulating the activity of 11β-hydroxysteroid dehydrogenase type 1 (11βHSD1) and the use of these compounds as pharmaceutical compositions, are described. Also a novel class of substituted amides, their use in therapy, pharmaceutical compositions comprising the compounds, as well as their use in the manufacture of medicaments are described. The present compounds are modulators and more specifically inhibitors of the activity of 11βHSD1 and may be useful in the treatment, prevention and/or prophylaxis of a range of medical disorders where a decreased intracellular concentration of active glucocorticoid is desirable.

  本文介绍了使用取代酰胺来调节11β-羟化甾体脱氢酶1型（11βHSD1）的活性以及将这些化合物用作制药组合物的方法。还介绍了一类新型的取代酰胺，它们在治疗中的应用、包含这些化合物的制药组合物以及它们在药物制剂制造中的应用。这些化合物是11βHSD1的调节剂，更具体地说是抑制剂，可用于治疗、预防和/或预防一系列需要降低活性糖皮质激素细胞内浓度的医学疾病。
• Sulfonamide derivatives
  申请人：Du Y. Daniel

  公开号：US20050004367A1

  公开（公告）日：2005-01-06

  The present invention is directed to a new class of 6-sulfonamide quinoline and chromene derivative and to their use as androgen antagonists.

  本发明涉及一类新的6-磺酰胺喹啉和色烯衍生物，以及它们作为雄激素拮抗剂的用途。
• Naphthaline derivatives as H3 inverse agonists
  申请人：McArthur Gatti Silvia

  公开号：US20060009449A1

  公开（公告）日：2006-01-12

  The present invention relates to compounds of formula I: and pharmaceutically acceptable salts thereof, to the preparation of such compounds and pharmaceutical compositions containing them. The compounds are useful for the treatment and/or prevention of diseases which are associated with the modulation of H3 receptors.

  本发明涉及公式I的化合物及其药学上可接受的盐，以及制备这些化合物和含有它们的制药组合物。这些化合物用于治疗和/或预防与H3受体调节相关的疾病。