3-(3,4-dihydroisoquinolin-2(1H)-yl)propane-1,2-diol | 63431-46-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 3-(3,4-dihydroisoquinolin-2(1H)-yl)propane-1,2-diol
• 英文别名: 3-(3,4-dihydro-1H-isoquinolin-2-yl)propane-1,2-diol
• CAS: 63431-46-9
• 化学式: C₁₂H₁₇NO₂
• mdl: MFCD19316175
• 分子量: 207.272
• InChiKey: MCCXHGFEYOVLFR-UHFFFAOYSA-N

物化性质

• 沸点：
  378.2±32.0 °C(Predicted)
• 密度：
  1.172±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  四氢异喹啉 、 缩水甘油 以 乙醇 为溶剂， 140.0 ℃ 、344.75 kPa 条件下， 反应 0.07h， 以99%的产率得到3-(3,4-dihydroisoquinolin-2(1H)-yl)propane-1,2-diol
  参考文献：
  名称：

  Microwave-Assisted Ring Opening of Epoxides:  A General Route to the Synthesis of 1-Aminopropan-2-ols with Anti Malaria Parasite Activities

  摘要：

  A series of 1-aminopropan-2-ols were synthesized and evaluated against two strains of malaria, Plasmodium falciparum FCR3 (chloroquine-resistant) and 3D7 (chloroquine-sensitive). Microwave-assisted ring opening of epoxides (aryl and alkyl glycidyl ethers, glycidol, epichlorohydrin) with various amines without catalysts generated the desired library of beta-amino alcohols rapidly and efficiently. Most of the compounds showed micromolar potency against malaria, with seven of them having IC50 values between 1 and 10 mu M against both Plasmodium falciparum strains.

  DOI：

  10.1021/jm070553l

文献信息

• [EN] COMPOSITIONS AND METHODS FOR DIAGNOSIS AND TREATMENT OF PROSTATE CANCER<br/>[FR] COMPOSITIONS ET MÉTHODES POUR LE DIAGNOSTIC ET LE TRAITEMENT DU CANCER DE LA PROSTATE
  申请人：NOVARTIS AG

  公开号：WO2016089883A1

  公开（公告）日：2016-06-09

  The invention provides novel personalized therapies, kits, transmittable forms of information and methods for use in treating subjects having TMPRSS2:ERG positive prostate cancer, which we show is amenable to therapeutic treatment with a PRMT5 inhibitor. Kits, methods of screening for candidate PRMT5 inhibitors, and associated methods of treatment are also provided.
• Microwave-Assisted Ring Opening of Epoxides:  A General Route to the Synthesis of 1-Aminopropan-2-ols with Anti Malaria Parasite Activities
  作者：Aélig Robin、Fraser Brown、Noemí Bahamontes-Rosa、Binghua Wu、Eric Beitz、Jürgen F. J. Kun、Sabine L. Flitsch

  DOI：10.1021/jm070553l

  日期：2007.8.1

  A series of 1-aminopropan-2-ols were synthesized and evaluated against two strains of malaria, Plasmodium falciparum FCR3 (chloroquine-resistant) and 3D7 (chloroquine-sensitive). Microwave-assisted ring opening of epoxides (aryl and alkyl glycidyl ethers, glycidol, epichlorohydrin) with various amines without catalysts generated the desired library of beta-amino alcohols rapidly and efficiently. Most of the compounds showed micromolar potency against malaria, with seven of them having IC50 values between 1 and 10 mu M against both Plasmodium falciparum strains.