3-(3-amino-5-methoxyphenyl)propan-1-ol | 1325235-69-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(3-amino-5-methoxyphenyl)propan-1-ol
• CAS: 1325235-69-5
• 化学式: C₁₀H₁₅NO₂
• 分子量: 181.235
• InChiKey: KFCFYJMDIADTAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  55.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(3-amino-5-methoxyphenyl)propan-1-ol 在 咪唑 、 (1-cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylaminomorpholinocarbenium hexafluorophosphate 、 四丁基氟化铵 、 碘 、 N,N-二异丙基乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 反应 30.0h， 生成 (4R,7E)-10-(3-methoxy-5-(non-8-enamido)phenyl)-7-methyldeca-1,7-dien-4-yl (2R)-2-(cyclohexanecarboxamido)-3-methylbutanoate
  参考文献：
  名称：

  Monoenomycin: A Simplified Trienomycin A Analogue That Manifests Anticancer Activity

  摘要：

  Macrocydic natural products are a powerful class of leadlike chemical entities. Despite commonly violating Lipinski's "rule of 5", these compounds often demonstrate superior druglike physicochemical and pharmacokinetic attributes when compared to their acyclic counterparts. However, the elaborate structural architectures of such molecules require rigorous synthetic investigation that complicates analogue development and their application to drug discovery programs. To circumvent these limitations, a conformation-based approach using limited structure-activity relationships and molecular modeling was implemented to design simplified analogues of trienomycin A, in which the corresponding analogues could be prepared in a succinct manner to rapidly identify essential structural components necessary for biological activity. Trienomycin A is a member of the ansamycin family of natural products that possesses potent anticancer activity. These studies revealed a novel trienomycin A analogue, rnonoenomycin, which manifests potent anticancer activity.

  DOI：

  10.1021/ml200108y
• 作为产物：
  描述：

  3-甲氧基-4-硝基苯甲醛 在 palladium 10% on activated carbon 、 氢气 、 sodium hydride 、 二异丁基氢化铝 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 水 、 乙酸乙酯 、 甲苯 为溶剂， 反应 34.0h， 生成 3-(3-amino-5-methoxyphenyl)propan-1-ol
  参考文献：
  名称：

  Monoenomycin: A Simplified Trienomycin A Analogue That Manifests Anticancer Activity

  摘要：

  Macrocydic natural products are a powerful class of leadlike chemical entities. Despite commonly violating Lipinski's "rule of 5", these compounds often demonstrate superior druglike physicochemical and pharmacokinetic attributes when compared to their acyclic counterparts. However, the elaborate structural architectures of such molecules require rigorous synthetic investigation that complicates analogue development and their application to drug discovery programs. To circumvent these limitations, a conformation-based approach using limited structure-activity relationships and molecular modeling was implemented to design simplified analogues of trienomycin A, in which the corresponding analogues could be prepared in a succinct manner to rapidly identify essential structural components necessary for biological activity. Trienomycin A is a member of the ansamycin family of natural products that possesses potent anticancer activity. These studies revealed a novel trienomycin A analogue, rnonoenomycin, which manifests potent anticancer activity.

  DOI：

  10.1021/ml200108y

文献信息

• Substituted indoline derivatives as dengue viral replication inhibitors
  申请人：Janssen Pharmaceuticals, Inc.

  公开号：US10913716B2

  公开（公告）日：2021-02-09

  The present invention concerns substituted indoline compounds, methods to prevent or treat dengue viral infections by using said compounds and also relates to said compounds for use as a medicine, more preferably for use as a medicine to treat or prevent dengue viral infections. The present invention furthermore relates to pharmaceutical compositions or combination preparations of the compounds, to the compositions or preparations for use as a medicine, more preferably for the prevention or treatment of dengue viral infections. The invention also relates to processes for preparation of the compounds.

  本发明涉及取代的吲哚啉化合物、使用所述化合物预防或治疗登革热病毒感染的方法，还涉及用作药物的所述化合物，更优选用作治疗或预防登革热病毒感染的药物。本发明还涉及所述化合物的药物组合物或组合制剂、用作药物的组合物或制剂，更优选用作预防或治疗登革热病毒感染的药物。本发明还涉及化合物的制备工艺。