5-butyl-isoxazol-3-one | 10004-48-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-butyl-isoxazol-3-one
• 英文别名: 5-Butyl-1,2-oxazol-3-one
• CAS: 10004-48-5
• 化学式: C₇H₁₁NO₂
• 分子量: 141.17
• InChiKey: COJOQIBKKJIHLX-UHFFFAOYSA-N

物化性质

• 熔点：
  38.5-39.5 °C
• 密度：
  1.052±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-氯丙烷 、 恶霉灵 在 正丁基锂 作用下， 生成 5-butyl-isoxazol-3-one 、 5-(1-propylbutyl)-3-isoxazolol
  参考文献：
  名称：

  Excitatory amino-acid receptor agonists. Synthesis and pharmacology of analogues of 2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic acid

  摘要：

  We have previously proposed the existence of a lipophilic cavity of the 2-amino-3-(3-hydroxy-5-methylisoxazol4-yl)propionic acid (AMPA) receptor recognition site capable of accommodating alkyl substituents of limited size in the 5-position of the isoxazole ring. In order to indirectly elucidate the approximate extent of this proposed cavity we have synthesized and pharmacologically characterized a number of AMPA analogues. For most of these AMPA analogues, a positive correlation between AMPA receptor affinity and agonist effect was observed. The only exception was demethyl-AMPA (8a), which showed relatively high AMPA receptor affinity (IC50 = 0.27 mu M) but remarkably weak agonist potency (EC50 = 900 mu M). Whereas the ethyl analogue of AMPA (Et-AMPA) (IC50 = 0.030 mu M; EC50 = 2.3 mu M) has previously been shown to be slightly more potent than AMPA (IC50 = 0.040 mu M; EC50 = 3.5 mu M), substitutions of a propyl or a butyl group for the methyl group of AMPA to give 8b (IC50 = 0.090 mu M; EC50 = 5.0 mu M) or 8f (IC50 = 1.0 mu M; EC50 = 32 mu M), respectively, result in progressive loss of the AMPA agonist effect. Analogues containing larger groups, such as isopentyl (8e), 1-propylbutyl (8g), 2,2-dimethylpropyl (8h), or benzyl (14) groups, were very weak or totally inactive as AMPA receptor ligands.

  DOI：

  10.1016/s0223-5234(97)89085-x

文献信息

• Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5ht4-antagonists
  申请人：Bosmans René Marie André Jean-Paul

  公开号：US20070197600A1

  公开（公告）日：2007-08-23

  The present invention is concerned with novel compounds of formula (I) having 5HT 4 -antagonistic properties. The invention further relates to methods for preparing such novel compounds, pharmaceutical compositions comprising said novel compounds as well as the use as a medicine of said compounds.

  本发明涉及具有5HT4拮抗性质的化合物(I)的新颖化合物。本发明还涉及制备这种新颖化合物的方法，含有该新颖化合物的药物组合物以及该化合物作为药物的使用。
• Growth Hormones With Prolonged In-Vivo Efficacy
  申请人：Behrens Carsten

  公开号：US20120309944A1

  公开（公告）日：2012-12-06

  The invention relates to growth hormone compounds with a protracted profile. The effect is obtained by linking an albumin binding residue via a hydrophilic spacer to growth hormone variants. Further described are methods of preparing and using such compounds. These growth hormone compounds are based on there altered profile considered particular useful in therapy.

  本发明涉及具有持续作用的生长激素化合物。通过将一种结合白蛋白残基的氢亲和性间隔物与生长激素变体连接，实现了该效果。此外，还描述了制备和使用这些化合物的方法。这些生长激素化合物基于其改变的特征，被认为在治疗中特别有用。
• Growth Hormones with Prolonged In-Vivo Efficacy
  申请人：Novo Nordisk Health Care AG

  公开号：US20140107324A1

  公开（公告）日：2014-04-17

  The invention relates to growth hormone compounds with a protracted profile. The effect is obtained by linking an albumin binding residue via a hydrophilic spacer to growth hormone variants. Further described are methods of preparing and using such compounds. These growth hormone compounds are based on there althered profile considered particular useful in therapy.

  本发明涉及一种具有持久剖面的生长激素化合物。通过将一种结合白蛋白的残基通过亲水性间隔连接到生长激素变体上，可以获得该效果。还描述了制备和使用这种化合物的方法。这些生长激素化合物基于其改变的剖面，在治疗中被认为特别有用。
• Conjugated Proteins
  申请人：Buchardt Jens

  公开号：US20130004524A1

  公开（公告）日：2013-01-03

  The present invention relates to modified therapeutic proteins, such as e.g. coagula-tion factors. In particular, the present invention relates to conjugated Factor VIII molecules such as e.g. FVII, FVIII, or FIX comprising a hydrophobic side group.
• US4950764A
  申请人：——

  公开号：US4950764A

  公开（公告）日：1990-08-21