ethanesulfonic acid (3-aminophenyl)amide | 500882-27-9

• 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: ethanesulfonic acid (3-aminophenyl)amide
• 英文别名: N-(3-aminophenyl)ethylsulphonamide；N-(3-aminophenyl)ethanesulfonamide
• CAS: 500882-27-9
• 化学式: C₈H₁₂N₂O₂S
• 分子量: 200.261
• InChiKey: MMEPJAYJMGQSGC-UHFFFAOYSA-N

物化性质

• 沸点：
  370.3±44.0 °C(Predicted)
• 密度：
  1.346±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethanesulfonic acid (3-aminophenyl)amide 在 potassium carbonate 作用下， 以 四氢呋喃 、 氯苯 为溶剂， 反应 96.0h， 生成 N-[3-[4-[3-(1-benzothiophen-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]ethanesulfonamide
  参考文献：
  名称：

  Orus; Martinez; Perez, Pharmazie, 2002, vol. 57, # 8, p. 515 - 518

  摘要：

  DOI：
• 作为产物：
  描述：

  ethanesulfonic acid (3-nitrophenyl)amide 在 Ni-Raney 、 一水合肼 作用下， 以 甲醇 为溶剂， 以69%的产率得到ethanesulfonic acid (3-aminophenyl)amide
  参考文献：
  名称：

  Orus; Martinez; Perez, Pharmazie, 2002, vol. 57, # 8, p. 515 - 518

  摘要：

  DOI：

文献信息

• BROMODOMAIN INHIBITORS
  申请人：Celgene Quanticel Research, Inc

  公开号：EP3290407A1

  公开（公告）日：2018-03-07

  The present invention relates to substituted heterocyclic derivative compounds, compositions comprising said compounds, and the use of said compounds and compositions for epigenetic regulation by inhibition of bromodomain-mediated recognition of acetyl lysine regions of proteins, such as histones. Said compositions and methods are useful for the treatment of cancer and neoplastic disease.

  本发明涉及取代的杂环衍生物化合物、包含所述化合物的组合物，以及所述化合物和组合物通过抑制溴域介导的对蛋白质（如组蛋白）乙酰赖氨酸区的识别来进行表观遗传调控的用途。所述组合物和方法可用于治疗癌症和肿瘤性疾病。
• Synthesis and Structure−Activity Studies on <i>N</i>-[5-(1<i>H</i>-Imidazol-4-yl)-5,6,7,8-tetrahydro-1-naphthalenyl]methanesulfonamide, an Imidazole-Containing α_1A-Adrenoceptor Agonist
  作者：Robert J. Altenbach、Albert Khilevich、Teodozyj Kolasa、Jeffrey J. Rohde、Pramila A. Bhatia、Meena V. Patel、Xenia B. Searle、Fan Yang、William H. Bunnelle、Karin Tietje、Erol K. Bayburt、William A. Carroll、Michael D. Meyer、Rodger Henry、Steven A. Buckner、Jane Kuk、Anthony V. Daza、Ivan V. Milicic、John C. Cain、Chae H. Kang、Lynne M. Ireland、Tracy L. Carr、Thomas R. Miller、Arthur A. Hancock、Masaki Nakane、Timothy A. Esbenshade、Michael E. Brune、Alyssa B. O'Neill、Donna M. Gauvin、Sweta P. Katwala、Mark W. Holladay、Jorge D. Brioni、James P. Sullivan

  DOI：10.1021/jm030551a

  日期：2004.6.1

  Structure-activity studies were performed on the alpha(1A)-adrenoceptor (AR) selective agonist N-[5-(1H-imidazol-4-yl)-5,6,7,8-tetrahydro-1-naphthalenyl]methanesulfonamide (4). Compounds were evaluated for binding activity at the alpha(1A), alpha(1b), alpha(1d), alpha(2a), and alpha(2B) subtypes. Functional activity in tissues containing the alpha(1A) (rabbit urethra), alpha(1B) (rat spleen), alpha(1D) (rat aorta), and alpha(2A) (rat prostatic vas deferens) was also evaluated. A dog in vivo model simultaneously measuring intraurethral pressure (IUP) and mean arterial pressure (ALAP) was used to assess the uroselectivity of the compounds. Many of the compounds that were highly selective in vitro for the alpha(1A)-AR subtype were also more uroselective in vivo for increasing IUP over MAP than the nonselective alpha(1)-agonists phenylpropanolamine (PPA) (1) and ST-1059 (2, the active metabolite of midodrine), supporting the hypothesis that greater alpha(1A) selectivity would reduce cardiovascular side effects. However, the data also support a prominent role of the alpha(1A)-AR subtype in the control of MAP.
• US4101541A
  申请人：——

  公开号：US4101541A

  公开（公告）日：1978-07-18
• Orus; Martinez; Perez, Pharmazie, 2002, vol. 57, # 8, p. 515 - 518
  作者：Orus、Martinez、Perez、Oficialdegui、Del Castillo、Mourelle、Lasheras、Del Rio、Monge, Antonio

  DOI：——

  日期：——