1-(9-蒽基)-2-氨基丙烷 | 1025467-11-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 中文名称: 1-(9-蒽基)-2-氨基丙烷
• 英文名称: 1-(9-anthracenyl)-2-aminopropane
• 英文别名: 1-Anthracen-9-ylpropan-2-amine
• CAS: 1025467-11-1
• 化学式: C₁₇H₁₇N
• 分子量: 235.329
• InChiKey: ZFTNBMKKSLQHRB-UHFFFAOYSA-N

物化性质

• 沸点：
  418.2±14.0 °C(Predicted)
• 密度：
  1.115±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.88
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  26.02
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1-(9-蒽基)-2-氨基丙烷 、 三氟乙酸酐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以0.869 g的产率得到N-trifluoroacetyl-1-(9-anthracenyl)-2-aminopropane
  参考文献：
  名称：

  The role of lipophilicity in determining binding affinity and functional activity for 5-HT2A receptor ligands

  摘要：

  The lipophilicity of a set of 5-HT2A ligands was determined using immobilized-artificial-membrane chromatography, a method that generates values well correlated with octanol-water partition coefficients. For agonists, a highly significant linear correlation was observed between binding affinity and lipophilicity. For ligands exhibiting partial agonist or antagonist properties, the lipophilicity was consistently higher than would be expected for an agonist of comparable affinity. The results suggest a possible method for distinguishing agonists from antagonists in high-throughput screening when a direct assay for functional activity is either unavailable or impractical. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.02.033
• 作为产物：
  描述：

  (E)-9-(2-nitroprop-1-en-1-yl)anthracene 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 42.0h， 生成 1-(9-蒽基)-2-氨基丙烷
  参考文献：
  名称：

  The role of lipophilicity in determining binding affinity and functional activity for 5-HT2A receptor ligands

  摘要：

  The lipophilicity of a set of 5-HT2A ligands was determined using immobilized-artificial-membrane chromatography, a method that generates values well correlated with octanol-water partition coefficients. For agonists, a highly significant linear correlation was observed between binding affinity and lipophilicity. For ligands exhibiting partial agonist or antagonist properties, the lipophilicity was consistently higher than would be expected for an agonist of comparable affinity. The results suggest a possible method for distinguishing agonists from antagonists in high-throughput screening when a direct assay for functional activity is either unavailable or impractical. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.02.033

文献信息

• RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN
  申请人：PROVINCIAL HEALTH SERVICES AUTHORITY

  公开号：US20210338851A1

  公开（公告）日：2021-11-04

  A compound comprising a prostate specific membrane antigen (PSMA)-targeting moiety of the following formula or of a salt or a solvate thereof. R 0 is O or S. Each of R 1a , R 1b and R 1c may be —CO 2 H, —SO 2 H, —SO 3 H, —PO 2 H, or —PO 3 H 2 , for example. R 2 may be methylene or a derivative thereof, propylene or a derivative thereof, or a derivative of ethylene, optionally substituted. R 3 is a linker. When the PSMA-targeting moiety is linked to a radiolabeling group, the compound may be used as an imaging agent or therapeutic agent for PSMA-expressing diseases/conditions.