4-(2-(1-propylamino)ethyl)phenol | 156349-08-5

• 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: 4-(2-(1-propylamino)ethyl)phenol
• 英文别名: 4-[2-(propylamino)ethyl]phenol
• CAS: 156349-08-5
• 化学式: C₁₁H₁₇NO
• 分子量: 179.262
• InChiKey: SHQAAFGECSBWFX-UHFFFAOYSA-N

物化性质

• 沸点：
  302.1±17.0 °C(Predicted)
• 密度：
  1.001±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 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：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(2-(1-propylamino)ethyl)phenol 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 7.0h， 生成 (4S,5R,6R)-5-Acetylamino-4-amino-6-{[2-(4-hydroxyphenyl)ethyl] propylcarbamoyl}-5,6-dihydro-4H-pyran-2-carboxylic acid trifluoroacetate salt
  参考文献：
  名称：

  Smith, Paul W.; Sollis, Steven L.; Howes, Peter D., Journal of Medicinal Chemistry, 1998, vol. 41, # 6, p. 787 - 797

  摘要：

  DOI：
• 作为产物：
  描述：

  N-(1-propyl)-4-hydroxyphenylacetamide 在 锂硼氢 、 三甲基氯硅烷 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 生成 4-(2-(1-propylamino)ethyl)phenol
  参考文献：
  名称：

  Smith, Paul W.; Sollis, Steven L.; Howes, Peter D., Journal of Medicinal Chemistry, 1998, vol. 41, # 6, p. 787 - 797

  摘要：

  DOI：

文献信息

• Dopaminergic carbostyrils and a process for preparing them
  申请人：SMITHKLINE BECKMAN CORPORATION

  公开号：EP0125052A2

  公开（公告）日：1984-11-14

  Agroup of5-(2-aminoethyl)-8- hydroxycarbostyril deriva- ives was prepared by deprotecting certain 8-alkoxy or ben- yloxycarbostyrils. 5-[N-n- Propyl-N- (p-hydroxy-phenethyl) 2-aminoethyl] -8- hydroxycarbostyril has excellent presynap- ic dopamine agonist activity.

  通过对某些 8-烷氧基或苯氧基羧基吡咯进行脱保护，制备了一组 5-(2-氨基乙基)-8-羟基羧基吡咯衍生物。5-[N-正丙基-N-（对羟基苯乙基）2-氨基乙基]-8-羟基咔唑苯吡啶具有极佳的多巴胺前体激动剂活性。
• Structure−Activity Relationships and Cancer-Cell Selective Toxicity of Novel Inhibitors of Glioma-Associated Oncogene Homologue 1 (Gli1) Mediated Transcription
  作者：Neeraj Mahindroo、Michele C. Connelly、Chandanamali Punchihewa、Hiromichi Kimura、Matthew P. Smeltzer、Song Wu、Naoaki Fujii

  DOI：10.1021/jm900106f

  日期：2009.7.23

  We report novel inhibitors of Gli1-mediated transcription as potential anticancer agents. Focused chemical libraries were designed and assessed for inhibition of functional cell-based Gli1-mediated transcription and selective toxicity toward cancer cells. The SAR was revealed, and the selectivity of the lead compounds' inhibition of Gli1-mediated transcription over that of Gli2 was determined. Compound 63 (NMDA298-1), which inhibited Gli1-mediated transcription in C3H10T1/2 cells with all IC50 of 6.9 mu M, showed 3-fold selectivity for inhibiting transcription mediated by Gli1 over that by Gli2. Cell-viability assays were performed to evaluate the chemical library in a normal cell line and a panel of cancer cell lines with or without up-regulated expression of the Gli1 gene. These compounds decreased the viability of several cancer cell lines but were less active in the noncancerous BJ-hTERT cells.
• 4-Aminoalkyl-2(3H)-indolones
  申请人：SMITHKLINE BECKMAN CORPORATION

  公开号：EP0113964B1

  公开（公告）日：1986-10-22
• ALPHA-HELIX ANALOG HAVING TRIAZINE-PIPERAZINE BACKBONE AND METHOD FOR PREPARING SAME
  申请人：POSCO

  公开号：US20170204086A1

  公开（公告）日：2017-07-20

  The alpha-helix mimetic containing a triazine-piperazine scaffold is provided. The alpha-helix mimetic compound can mimic efficiently the alpha-helix structure of protein secondary structure and act as an inhibitor for the protein interaction being specific to various diseases mediated by alpha-helix. Therefore, the compound can be used as a biological probe and have a high potential of drug treating diseases.
• US4588740A
  申请人：——

  公开号：US4588740A

  公开（公告）日：1986-05-13