PAL-334 | 32560-62-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: PAL-334
• 英文别名: 2-Amino-1-<4-isopropyl-phenyl>-propan；2-Amino-1-(4-isopropyl-phenyl)-propan；1-[4-(Propan-2-YL)phenyl]propan-2-amine；1-(4-propan-2-ylphenyl)propan-2-amine
• CAS: 32560-62-6
• 化学式: C₁₂H₁₉N
• mdl: MFCD08452703
• 分子量: 177.29
• InChiKey: CORKPPLFQPYRLN-UHFFFAOYSA-N

物化性质

• 沸点：
  260.3±9.0 °C(Predicted)
• 密度：
  0.919±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  PAL-334 在 palladium on activated charcoal 盐酸 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 戊醇 为溶剂， 生成 [2-(4-Isopropyl-phenyl)-1-methyl-ethyl]-(tetrahydro-pyrimidin-2-ylidene)-amine; hydrochloride
  参考文献：
  名称：

  Guanidinium and amidinium fungicides: A new class of carbocation mimetic ergosterol biosynthesis inhibitors

  摘要：

  AbstractA novel class of chemical has been designed with the aim of inhibiting the Δ14‐reductase and Δ8‐Δ7‐isomerase enzymes in the ergosterol biosynthesis pathway in fungi. Use was made of knowledge about the mechanisms of both enzymes and the mode of action of known, fungicidal inhibitors of these enzymes. Pioneer examples have been synthesised and have been demonstrated to be potent inhibitors of ergosterol biosynthesis in Ustilago maydis (DC) Corda, acting in the same manner as the commercial fungicide fenpropimorph. They also showed excellent fungicidal activity against Erysiphe graminis DC f. sp. hordei Marchal (powdery mildew of barley) and Puccinia recondita Rob. ex Desm. (wheat leaf rust) in in‐vivo glasshouse tests. Using these compounds as a starting point, systematic structural variation has been carried out. Testing of a wide range of analogues at high volume confirms the potential of this class of compound to control mildew and rust pathogens at levels comparable to those of the standards. Correlation of in‐vivo and enzymatic data is good and the structure‐activity relationship developed for this series of compounds closely parallels that found for the morpholine/piperidine class of fungicides, suggesting a common mode of action.

  DOI：

  10.1002/ps.2780440406
• 作为产物：
  描述：

  4-异丙基苯甲醛 在 lithium aluminium tetrahydride 、 正丁胺 作用下， 生成 PAL-334
  参考文献：
  名称：

  厌氧剂：芳香族取代的1-苯基-2-丙烯酰胺。

  摘要：

  DOI：

  10.1021/jm00341a011

文献信息

• COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION
  申请人：Cellix Bio Private Limited

  公开号：US20220048850A1

  公开（公告）日：2022-02-17

  The disclosures herein provide compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These compounds may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral administration, intravenous, spray, parenteral, lozenge, solution, syrup, sachet, transdermal administration, or injection. Such compositions may be used to treatment of inflammation or its associated complications.

  本文披露了I式化合物及其药物可接受的盐，以及其多晶形、对映异构体、立体异构体、溶剂化物和水合物。这些化合物可以制成药物组合物。药物组合物可以制成口服、静脉注射、喷雾、注射、含片、溶液、糖浆、小包装、经皮给药等药物形式。这些组合物可以用于治疗炎症或其相关并发症。
• Oxabicycloheptanes and Oxabicycloheptenes, Their Preparation and Use
  申请人：Kovach John S.

  公开号：US20120264764A1

  公开（公告）日：2012-10-18

  This invention provides compounds having the structure which may be used for the treatment of tumors.

  这项发明提供了具有以下结构的化合物，可用于肿瘤治疗。
• GLUCOSYLCERAMIDE SYNTHASE INHIBITORS
  申请人：Genzyme Corporation

  公开号：US20140371460A1

  公开（公告）日：2014-12-18

  The invention relates to inhibitors of glucosylceramide synthase (GCS) useful for the treatment metabolic diseases, such as lysosomal storage diseases, either alone or in combination with enzyme replacement therapy, and for the treatment of cancer.

  本发明涉及一种对糖脂合成酶（GCS）的抑制剂，用于治疗代谢性疾病，例如溶酶体贮存病，可单独使用或与酶替代治疗相结合，并用于治疗癌症。
• Volatile applications against pathogens
  申请人：AGROFRESH INC.

  公开号：US10765117B2

  公开（公告）日：2020-09-08

  This invention is related to the use of a volatile antimicrobial compound against pathogens affecting humans comprising contacting infected areas with an atmosphere containing an effective amount of a volatile antimicrobial compound in gaseous form. The volatile antimicrobial compounds provided include certain oxaborole compounds, for example benzoxaboroles. Delivery systems are provided to take advantage of the volatile nature of these antimicrobial compounds. The method and use disclosed can be combined with other volatile compounds.

  本发明涉及使用挥发性抗菌化合物来对付影响人类的病原体，包括使受感染区域与含有有效量气态挥发性抗菌化合物的环境接触。所提供的挥发性抗菌化合物包括某些氧硼化合物，例如苯并氧硼化合物。提供的给药系统可利用这些抗菌化合物的挥发性。所公开的方法和用途可与其他挥发性化合物结合使用。
• Compositions and methods for the treatment of inflammation
  申请人：Cellix Bio Private Limited

  公开号：US10774059B2

  公开（公告）日：2020-09-15

  The disclosures herein provide compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These compounds may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral administration, intravenous, spray, parenteral, lozenge, solution, syrup, sachet, transdermal administration, or injection. Such compositions may be used to treatment of inflammation or its associated complications.

  本文公开了式 I 化合物或其药物可接受盐，以及它们的多晶型物、对映体、立体异构体、溶液和水合物。这些化合物可配制成药物组合物。这些药物组合物可配制成口服、静脉注射、喷雾、肠外、锭剂、溶液、糖浆、袋装、透皮给药或注射剂。此类组合物可用于治疗炎症或其相关并发症。