β-alanine propyl ester | 145613-45-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: β-alanine propyl ester
• 英文别名: propyl 3-aminopropanoate；β-Alanin-propylester
• CAS: 145613-45-2
• 化学式: C₆H₁₃NO₂
• mdl: MFCD06212613
• 分子量: 131.175
• InChiKey: JYSNRZNGUVBJQZ-UHFFFAOYSA-N

物化性质

• 沸点：
  184.8±23.0 °C(Predicted)
• 密度：
  0.973±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  β-alanine propyl ester 在 4-二甲氨基吡啶 作用下， 以 乙腈 为溶剂， 反应 27.5h， 生成
  参考文献：
  名称：

  白藜芦醇氨基酸酯类衍生物及其制备方法

  摘要：

  本发明公开了一种白藜芦醇氨基酸酯类衍生物及其制备方法，属于精细化学物质合成技术领域。该白藜芦醇氨基酸酯类衍生物的结构如下式所示：该白藜芦醇氨基酸酯类衍生物以白藜芦醇、R氨基酸、R’醇、二氯亚砜、二(对硝基苯)碳酸酯为原料，以4‑二甲氨基吡啶(DMAP)为催化剂，以乙腈为溶剂，合成白藜芦醇氨基酸酯类衍生物衍生物；其中，R氨基酸选自α‑丙氨酸、β‑丙氨酸或γ‑氨基丁酸中的一种，R’醇选自甲醇、乙醇或正丙醇的中的一种。解决了白藜芦醇不易保存的技术问题，降低白藜芦醇取代基团所引入的药理毒性，同时发挥白藜芦醇和氨基酸的药学效用。可以预期，该新型化合物能够在美容以及制备抗疲劳、降血压的药物方面发挥重要作用。

  公开号：

  CN109928896A
• 作为产物：
  描述：

  N-tert-butoxycarbonyl-β-alanine n-propyl ester 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 2.0h， 以100%的产率得到β-alanine propyl ester
  参考文献：
  名称：

  Structure–activity relationship studies of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(3-propoxypropyl)thiourea, a non-nucleoside reverse transcriptase inhibitor of human immunodeficiency virus type-1

  摘要：

  The reverse transcriptase (RT) of the human immunodeficiency virus type-1 (HIV-1) is still a prime target for drug development due to the continuing need to block drug-resistant RT mutants by new inhibitors. We have previously identified 1-(4-chloro-2,5-dimethoxyphenyl)-3-(3-propoxypropyl)thiourea, compound 1, as a potent RI inhibitor from an available chemical library. Here, we further modified this compound to study structure activity relationships when replacing various groups in the molecule. Different functional groups were systematically introduced on the aromatic ring and the aliphatic chain of the compound was modified. The effect of these modifications on viral infectivity was then evaluated. The most potent compound found was propyl 4-(amino-N-(4-chloro-2,5-dimethoxyphenyl)methanethioamino)butanoate, 45c, which inhibited infectivity with a calculated IC50 of about 1.1 mu M. Docking studies identified potential important interactions between the top scoring ligands and HIV-1 RT, and the predicted relative affinity of the ligands was found to be in agreement with the experimental results. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.11.003

文献信息

• [EN] PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR<br/>[FR] PROMÉDICAMENTS DE MODULATEURS DU RÉCEPTEUR NMDA
  申请人：H LUNDBECK AS

  公开号：WO2021001420A1

  公开（公告）日：2021-01-07

  The present invention is directed to novel prodrugs of modulators of the NMDA receptor of formula I. Separate aspects of the inventions are directed to pharmaceutical compositions comprising said compounds and uses of the compounds to treat neurological disorders or neuropsychiatric disorders such as depression.

  本发明涉及公式I的NMDA受体调节剂的新型前药。该发明的不同方面涉及包括上述化合物的药物组合物以及利用这些化合物治疗神经系统疾病或神经精神疾病（如抑郁症）的用途。
• HETEROCYCLIC COMPOUND
  申请人：Fimecs, Inc.

  公开号：EP4006037A1

  公开（公告）日：2022-06-01

  It is to provide a novel heterocyclic compound which has the effect of inducing degradation of interleukin-1 receptor-associated kinase-M (IRAK-M) protein and is expected to be useful for the prevention/treatment of cancer, fibrosis, infectious diseases, etc. The present invention provides a compound represented by the following formula (I) or a pharmaceutically acceptable salt thereof.

  本发明旨在提供一种新的杂环化合物，具有诱导白细胞介素-1受体相关激酶M（IRAK-M）蛋白降解的效果，并有望用于预防/治疗癌症、纤维化、传染病等。本发明提供一种由以下公式（I）表示的化合物或其药学上可接受的盐。
• Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof
  申请人：Han Amy Qi

  公开号：US20120009151A1

  公开（公告）日：2012-01-12

  Disclosed herein are novel triazines and related compounds, the synthesis thereof, and compositions, including pharmaceutical compositions, comprising the novel triazines and related compounds. Such novel triazines and related compounds function to inhibit or block entry of viruses of the Flaviviridae family, including Hepatitis C virus (HCV), into cells that are susceptible to virus infection. These compounds are useful for the treatment, therapy and/or prophylaxis of viral diseases and infection, including HCV infection.

  本文披露了新型三嗪及其相关化合物，其合成方法以及包含新型三嗪和相关化合物的组合物，包括药物组合物。这些新型三嗪和相关化合物的功能是抑制或阻止易感染病毒的细胞进入黄病毒科病毒，包括丙型肝炎病毒（HCV）。这些化合物对于治疗、治疗和/或预防病毒性疾病和感染，包括HCV感染，是有用的。
• New substituted 3-phenoxy-1-alkoxycarbonyl-alkylamino-propanol-2-s having beta receptor blocking properties
  申请人：Aktiebolaget Hässle

  公开号：EP0041492A1

  公开（公告）日：1981-12-09

  The present invention relates to new compounds of the formula as well as their preparation, pharmaceutical preparations containing same, and method of treating acute myocardial infarction. The compounds which possess beta-adrenoceptor blocking activity are very shortacting and are preferably intended for treatment of acute myocardial infarction by administration by means of injection.

  本发明涉及新的式化合物 以及它们的制备方法、含有它们的药物制剂和治疗急性心肌梗塞的方法。 具有β-肾上腺素受体阻断活性的化合物接触时间很短，最好通过注射给药的方式用于治疗急性心肌梗塞。
• Pyridazinediones and their use in the treatment of neurological disorders
  申请人：ZENECA LIMITED

  公开号：EP0516297A1

  公开（公告）日：1992-12-02

  The present invention relates to pyridazino[4,5-b]quinolines, and pharmaceutically useful salts thereof, which are excitatory amino acid antagonists and which are useful when such antagonism is desired such as in the treatment of neurological disorders. The invention further provides pharmaceutical compositions containing pyridazino[4,5-b]quinolines as active ingredient, and methods for the treatment of neurological disorders.

  本发明涉及哒嗪并[4,5-b]喹啉、 及其药用盐，它们是兴奋性氨基酸拮抗剂，在治疗神经系统疾病等需要这种拮抗剂时非常有用。本发明进一步提供了含有哒嗪并[4,5-b]喹啉类活性成分的药物组合物，以及治疗神经系统疾病的方法。