PAL-335 | 800400-50-4

• 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: PAL-335
• 英文别名: 4-Ethylamphetamine；1-(4-ethylphenyl)propan-2-amine
• CAS: 800400-50-4
• 化学式: C₁₁H₁₇N
• 分子量: 163.263
• InChiKey: VHFLVGIMDGXALR-UHFFFAOYSA-N

物化性质

• 沸点：
  249.3±9.0 °C(Predicted)
• 密度：
  0.929±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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-335 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-Ethyl-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

文献信息

• Multifunctional Compounds and Methods of Use Thereof
  申请人：Kador Peter F.

  公开号：US20090105269A1

  公开（公告）日：2009-04-23

  Compositions comprising multifunctional agents and methods of use thereof are provided.

  提供了包含多功能剂的组合物和使用方法。
• NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE
  申请人：Wong Michael K.

  公开号：US20130012434A1

  公开（公告）日：2013-01-10

  The present invention relates to compounds of the general formula: wherein ring A, ring B, R1, R3, Z, L1, and L2 are selected independently of each other and are as defined herein, to compositions comprising the compounds, and to methods of using the compounds as glucagon receptor antagonists and for the treatment or prevention of type 2 diabetes and conditions related thereto.

  本发明涉及通式化合物：其中环A、环B、R1、R3、Z、L1和L2是彼此独立选择并如下所定义的，以及包含该化合物的组合物，以及使用该化合物作为胰高血糖素受体拮抗剂以及治疗或预防2型糖尿病及相关疾病的方法。
• 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。
• Compositions and methods for the treatment of irritable bowel syndrome
  申请人：CELLIX BIO PRIVATE LIMITED

  公开号：US11078154B2

  公开（公告）日：2021-08-03

  The disclosures herein provide compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These salts may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral administration, suppository, transdermal, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of irritable bowel syndrome (IBS), inflammatory bowel diseases or its associated complications.

  本文公开的化合物为式 I 或其药用盐，以及它们的多晶型物、对映体、立体异构体、溶解物和水合物。这些盐类可配制成药物组合物。这些药物组合物可配制成口服、栓剂、透皮、口腔、直肠、局部、透皮、透粘膜、静脉注射、肠外给药、糖浆或注射剂。此类组合物可用于治疗肠易激综合征（IBS）、炎症性肠病或其相关并发症。
• Amphetamine controlled release, prodrug, and abuse-deterrent dosage forms
  申请人：CHEMAPOTHECA, LLC

  公开号：US11123310B2

  公开（公告）日：2021-09-21

  The invention also relates to pharmaceutical compositions comprising highly pure amphetamine and amphetamine-class compounds resulting from the synthesis of chiral and racemic amphetamine derivatives by stereospecific, regioselective cuprate addition reaction with aziridine phosphoramidate compounds, and to methods of manufacturing, delivering, and using the amphetamine compounds resulting from the synthesis of chiral and racemic amphetamine derivatives by stereospecific, regioselective cuprate addition reaction with aziridine phosphoramidate compounds.

  本发明还涉及药物组合物，其中包含通过与氮丙啶磷酰胺化合物的立体特异性、区域选择性杯突加成反应合成手性和外消旋安非他明衍生物所得到的高纯度安非他明和安非他明类化合物，以及通过与氮丙啶磷酰胺化合物的立体特异性、区域选择性杯突加成反应合成手性和外消旋安非他明衍生物所得到的安非他明化合物的制造、交付和使用方法。