4-(二甲基氨基)丁醛 | 104459-70-3

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-(二甲基氨基)丁醛
• 中文别名: 4-(二甲基氨基)正丁醛
• 英文名称: 4-(dimethylamino)butyraldehyde
• 英文别名: N,N-dimethyl-4-aminobutyraldehyde；DMABAL；γ-Dimethylamino-butyraldehyd；4-Dimethylamino-butanal；4-N,N-dimethylamino-butyraldehyde；4-(Dimethylamino)butanal
• CAS: 104459-70-3
• 化学式: C₆H₁₃NO
• mdl: MFCD06658432
• 分子量: 115.175
• InChiKey: MWVVYUVMPBNOKP-UHFFFAOYSA-N

物化性质

• 沸点：
  153.3±23.0 °C(Predicted)
• 密度：
  0.871±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2922399090

制备方法与用途

4-二甲基氨基正丁醛是一种醛类衍生物，主要用于医药中间体。

反应信息

• 作为反应物：
  描述：

  4-(二甲基氨基)丁醛 在 Pisum sativum aminoaldehyde dehydrogenase 2 、 nicotinamide adenine dinucleotide 作用下， 生成 4-(二甲基氨基)丁酸
  参考文献：
  名称：

  Structural and Functional Characterization of Plant Aminoaldehyde Dehydrogenase from Pisum sativum with a Broad Specificity for Natural and Synthetic Aminoaldehydes

  摘要：

  Aminoaldehyde dehydrogenases (AMADHs, EC 1.2.1.19) belong to the large aldehyde dehydrogenase (ALDH) superfamily, namely, the ALDH9 family. They oxidize polyamine-derived omega-aminoaldehydes to the corresponding omega-amino acids. Here, we report the first X-ray structures of plant AMADHs: two isoenzymes, PsAMADH1 and PsAMADH2, from Pisum sativum in complex with beta-nicotinamide adenine dinucleotide (NAD(+)) at 2.4 and 2.15 angstrom resolution, respectively. Both recombinant, proteins are dimeric and, similarly to other ALDHs, each monomer is composed of an oligomerization domain, a coenzyme binding domain and a catalytic domain. Each subunit binds NAD(+) as a coenzyme, contains a solvent-accessible C-terminal peroxisomal targeting signal (type 1) and a cation bound in the cavity close to the NAD(+) binding site. While the NAD(+) binding mode is classical for PsAMADH2, that for PsAMADH1 is unusual among ALDHs. A glycerol molecule occupies the substrate binding site and mimics a bound substrate. Structural analysis and substrate specificity study of both isoenzymes in combination with data published previously on other ALDH9 family members show that the established categorization of such enzymes into distinct groups based on substrate specificity is no more appropriate, because many of them seem capable of oxidizing a large spectrum of aminoaldehyde substrates. PsAMADH1 and PsAMADH2 can oxidize N,N,N-trimethyl-4-aminobutyraldehyde into gamma-butyrobetaine, which is the carnitine precursor in animal cells. This activity highly suggests that in addition to their contribution to the formation of compatible osmolytes such as glycine betaine, beta-alanine betaine and gamma-aminobutyric acid, AMADHs might participate in carnitine biosynthesis in plants. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.jmb.2009.12.015
• 作为产物：
  描述：

  N,N-dimethylpent-4-enylamine 在 臭氧 作用下， 生成 4-(二甲基氨基)丁醛
  参考文献：
  名称：

  Harries; Duevel, Justus Liebigs Annalen der Chemie, 1915, vol. 410, p. 63

  摘要：

  DOI：

文献信息

• 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION
  申请人：Wakamoto Pharmaceutical Co., Ltd.

  公开号：EP1820799A1

  公开（公告）日：2007-08-22

  The present invention has its object to provide a 2,3,4,5-tetrahydro-1H-1,5-benzodiazepine derivative represented with the Formula (1) , or the pharmaceutically acceptable salt, which is effective as a therapeutic and prophylactic agent for diabetes, diabetic nephropathy, or glomerulosclerosis.

  本发明的目的是提供一种用化学式（1）表示的2,3,4,5-四氢-1H-1,5-苯二氮䓬衍生物，或其药学上可接受的盐，作为治疗和预防糖尿病、糖尿病肾病或肾小球硬化的药剂。
• NOVEL PROCESS
  申请人：Gore Vinayak G.

  公开号：US20100256208A1

  公开（公告）日：2010-10-07

  The present invention relates to a novel process for the preparation of rizatriptan and its pharmaceutically acceptable salts. It provides a novel process for the preparation of highly pure rizatriptan, which can be easily adopted for commercial production with a high degree of consistency in purity and yield. Subsequently the rizatriptan base prepared can be converted into any suitable pharmaceutically acceptable salt, such as the oxalate, succinate or benzoate salt, for dosage form preparation. The present invention also provides a composition comprising rizatriptan useful for the manufacture of a medicament for the treatment or prevention of migraine.

  本发明涉及一种制备瑞佐托品及其药用可接受盐类的新工艺。它提供了一种制备高纯度瑞佐托品的工艺，该工艺可以轻松地用于商业生产，且在纯度和收率方面具有高度一致性。随后，所制备的瑞佐托品碱可以转化为任何合适的药用可接受盐，例如草酸盐、琥珀酸盐或苯甲酸盐，用于制备剂型。本发明还提供了一种包含瑞佐托品的组合物，该组合物用于制造用于治疗或预防偏头痛的药物。
• [EN] BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS<br/>[FR] BENZOFUROPYRIMIDINONES EN TANT QU'INHIBITEURS DE PROTÉINE KINASE
  申请人：EXELIXIS INC

  公开号：WO2009086264A1

  公开（公告）日：2009-07-09

  A compound according to formula I: or a pharmaceutically acceptable salt thereof; wherein R1, R2, R3a, R3b, R3c and R3d are as defined in the specification, pharmaceutical compositions thereof, and methods of use thereof.

  根据公式I的化合物：或其药用可接受盐；其中R1、R2、R3a、R3b、R3c和R3d如规范中所定义，以及其药物组合物和使用方法。
• [DE] GUANIDINDERIVATE<br/>[EN] GUANIDINE DERIVATIVES<br/>[FR] DERIVES DE GUANIDINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2005023781A1

  公开（公告）日：2005-03-17

  Guanidinderivate der allgemeinen Formel (I) sowie Hydrate oder Solvate davon, als Neuropeptid FF Rezeptor-Antagonisten zur Behandlung von Schmerz und Hyperalgesie, von Entzugserscheinungen bei Alkohol-, Psychopharmaka- und Nicotinabhängigkeit und zur Verhinderung oder Aufhebung dieser Abhängigkeiten, zur Regulierung der Insulin-Freisetzung, der Nahrungsaufnahme, von Gedächtnisfunktionen, des Blutdrucks, des Elektrolyt- und Energiehaushaltes, und zur Behandlung von Harninkontinenz.

  通用式（I）的胍基衍生物以及其水合物或溶剂化物，作为神经肽FF受体拮抗剂，用于治疗疼痛和过敏症，酒精、精神药物和尼古丁依赖的戒断症状，以及预防或消除这些依赖，调节胰岛素释放、摄食、记忆功能、血压、电解质和能量平衡，以及治疗尿失禁。
• Guanidine derivatives
  申请人：Breu Volker

  公开号：US20070123510A1

  公开（公告）日：2007-05-31

  The invention relates to the guanine derivatives of general formula (I), and to hydrates or solvents thereof, for use as neuropeptide FF receptor antagonists in the treatment of pains and hyperalgesia, of withdrawal symptoms of addiction to alcohol, psychotropic drugs or nicotine and in the prevention of or recovery from these addictions, for the regulation of insulin release, food intake, memory functions, blood pressure, electrolyte and energy metabolism, and in the treatment of urinary incontinence.

  该发明涉及通式（I）的鸟嘌呤衍生物，以及其水合物或溶剂，用作神经肽FF受体拮抗剂，用于治疗疼痛和过敏症，戒酒症状，对酒精、精神药物或尼古丁成瘾的预防或康复，用于调节胰岛素释放、食物摄入、记忆功能、血压、电解质和能量代谢，以及治疗尿失禁。