N-butyrylbutyramide | 4494-12-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: N-butyrylbutyramide
• 英文别名: dibutyramide；dibutyryl-amine；Dibutyryl-amin；Dibutyramid；N-Butyryl-butyramid；Dibutyrylamin；Dibutyrylamine；N-butanoylbutanamide
• CAS: 4494-12-6
• 化学式: C₈H₁₅NO₂
• 分子量: 157.213
• InChiKey: HMZOTVUHCYDJMH-UHFFFAOYSA-N

物化性质

• 熔点：
  103-104 °C
• 沸点：
  265.1±9.0 °C(Predicted)
• 密度：
  0.960±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于四氢呋喃；

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-butyrylbutyramide 在 lithium aluminium deuteride 、 tin(II) chloride dihdyrate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 (5-amino-2-butyl-benzofuran-3-yl)-[4-(3-di-1-[²H₂]-butylamino-propoxy)-phenyl]-methanone
  参考文献：
  名称：

  Effect of deuteration on the metabolism and clearance of some pharmacologically active compounds-synthesis andin vitrometabolism of deuterated derivatives of dronedadrone

  摘要：

  描述了特定氘代衍生物多奈哌齐（dronedarone）一族的合成及其体外代谢研究。无论重标记的位置如何，母体化合物的代谢稳定性和清除率对氘取代并不敏感。

  DOI：

  10.1002/jlcr.3090
• 作为产物：
  描述：

  丁酸 在 苯甲腈 、 iron(II) chloride 作用下， 反应 19.0h， 以90%的产率得到N-butyrylbutyramide
  参考文献：
  名称：

  Vorob'eva, E. M.; Litvyak, I. G.; Sumarokova, T. N., Journal of general chemistry of the USSR, 1980, vol. 50, # 11, p. 2043 - 2048

  摘要：

  DOI：

文献信息

• Autoxidation of N-alkylamides. Part I. N-Acylamides as oxidation products
  作者：M. V. Lock、B. F. Sagar

  DOI：10.1039/j29660000690

  日期：——

  Products of the thermal and photosensitised autoxidation of N-alkyl- and NN-dialkyl-amides have been identified. N-n-Alkylamides yield principally N-acylamides, primary amides, and N-formylamides, as a result of initial abstraction of a hydrogen atom from the carbon adjacent to nitrogen. Formation of N-formylamides, and of N-acylamides from N-s-alkylamides, involves C(1)–C(2) bond scission in an N-alkyl

  已经鉴定了N-烷基-和NN-二烷基酰胺的热和光敏自氧化的产物。Ñ -n烷基酰胺得到主要Ñ -acylamides，伯酰胺，和Ñ -formylamides，如从与氮相邻碳氢原子的初始抽象的结果。的形成Ñ -formylamides，以及Ñ从-acylamides Ñ -s-三烷基酰胺，涉及Ç （1） -C （2）键的断裂中ñ -烷基。NN的氧化-二烷基酰胺遵循相似的模式。给出了89种酰胺的气相色谱-液相色谱保留数据。
• Isoquinoline compound and pharmaceutical use thereof
  申请人：Mitsubishi Pharma Corporation

  公开号：US20040248931A1

  公开（公告）日：2004-12-09

  The present invention relates to an isoquinoline compound represented by the following formula (I), an optically active form thereof, a pharmaceutically acceptable salt thereof, a water adduct thereof, a hydrate thereof and a solvate thereof, as well as an agent for the prophylaxis and/or treatment of a disease caused by hyperreactivity of poly(ADP-ribose)polymerase, containing the compound, and a poly(ADP-ribose)polymerase inhibitor containing the compound. In addition, this compound is useful as an agent for the prophylaxis and/or treatment of cerebral infarction, particularly as an agent for the prophylaxis and/or treatment of acute cerebral infarction. Furthermore, this compound is useful as a prophylactic and/or therapeutic agent that improves neurological symptoms associated with cerebral infarction, particularly acute cerebral infarction. 1 wherein the symbols are the same as defined in the description.

  本发明涉及一种异喹啉化合物，其由以下通式(I)表示，包括其光学活性形式、药学上可接受的盐、水合物、水合物和溶剂合物，以及用于预防和/或治疗由聚(ADP-核糖)聚合酶过度反应性引起的疾病的药物组合物，包含该化合物，以及包含该化合物的聚(ADP-核糖)聚合酶抑制剂。此外，该化合物可作为预防和/或治疗脑梗塞，特别是急性脑梗塞的药物。此外，该化合物可作为改善与脑梗塞，特别是急性脑梗塞相关的神经症状的预防和/或治疗药物。其中，符号的定义与说明书中的定义相同。
• PIPERIDINE DERIVATIVE
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US20190040039A1

  公开（公告）日：2019-02-07

  The purpose of the present invention is to provide a compound having excellent antibacterial activity against mycobacterium tuberculosis , multidrug-resistant tuberculosis bacteria, and/or non-tuberculous acid-fast bacteria. A compound represented by formula [I]: (in the formula, each symbol is as described in the attached specification), or a salt thereof can be used to diagnose, prevent, and/or treat tuberculosis.

  本发明的目的是提供一种对结核分枝杆菌、多药耐药结核菌和/或非结核性抗酸杆菌具有优异抗菌活性的化合物。可以利用由化学式[I]表示的化合物（在该化学式中，每个符号如所附规范所述），或其盐来诊断、预防和/或治疗结核病。
• Cyclic amine compounds
  申请人：Hasuoka Atsushi

  公开号：US20090042967A1

  公开（公告）日：2009-02-12

  The present invention relates to pharmaceutical agents which are agents for the prophylaxis or treatment of hypogonadism, male climacteric disorder, frailty, cachexia or osteoporosis; the pharmaceutical agents frailty suppressants, muscle strength enhancers, muscle increasing agents, cachexia suppressants, body weight decrease suppressants, agents for the prophylaxis or treatment of prostate hypertrophy, amyotrophy or muscle loss caused by a disease or an agent for reducing the prostate weight. The present invention also relates to methods for the prophylaxis or treatment of hypogonadism, male climacteric disorder, frailty, cachexia or osteoporosis in a mammal, which comprises administering an effective amount of the pharmaceutical agents of the present invention or a prodrug thereof; use of the pharmaceutical agents of the present invention or a prodrug thereof for the production of an agent for the prophylaxis or treatment of hypogonadism, male climacteric disorder, frailty, cachexia or osteoporosis; and the like.

  本发明涉及用于预防或治疗性腺功能减退症、男性更年期障碍、虚弱、消瘦或骨质疏松症的药物剂，其中包括虚弱抑制剂、肌肉力量增强剂、肌肉增长剂、消瘦抑制剂、体重减少抑制剂、用于预防或治疗前列腺肥大、肌萎缩或疾病引起的肌肉流失或降低前列腺重量的药物剂。本发明还涉及一种在哺乳动物中预防或治疗性腺功能减退症、男性更年期障碍、虚弱、消瘦或骨质疏松症的方法，包括向其投予本发明的药物剂或其前药的有效量；使用本发明的药物剂或其前药生产用于预防或治疗性腺功能减退症、男性更年期障碍、虚弱、消瘦或骨质疏松症的药物剂；等等。
• Acyclic imides. A general method of N-acylation of amides
  作者：K. Baburao、A. M. Costello、R. C. Petterson、G. E. Sander

  DOI：10.1039/j39680002779

  日期：——

  Many methods of monoacylation of primary amides were studied; one, the sulphuric acid-catalysed reaction of amides with anhydrides at 100°, was found to be very general. Several new acyclic imides were synthesised, including compounds as diverse as N-acetylvaleramide, N-valeryl-4-methylvaleramide, and 3α-acetoxy-N-acetyl-cholanamide. In two cases symmetrical imides related to the anhydride used were

  研究了许多伯酰胺单酰化的方法。第一，发现酰胺与酸酐在100°的硫酸催化反应非常普遍。几种新的无环酰亚胺合成，包括等不同的化合物Ñ -acetylvaleramide，Ñ -valeryl -4-甲基戊酰胺，和3α乙酰氧基ñ -乙酰基cholanamide。在两种情况下，与所用酸酐有关的对称酰亚胺被确定为混合酰亚胺合成中的次要副产物。

表征谱图