3-氧代-2-丙基戊酸乙酯 | 67244-24-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 中文名称: 3-氧代-2-丙基戊酸乙酯
• 英文名称: ethyl 2-propyl-propionylacetate
• 英文别名: 3-oxo-2-propyl-valeric acid ethyl ester；3-Oxo-2-propyl-valeriansaeure-aethylester；3-Ketopropylpentanoic acid ethyl ester；ethyl 3-oxo-2-propylpentanoate
• CAS: 67244-24-0
• 化学式: C₁₀H₁₈O₃
• 分子量: 186.251
• InChiKey: HCXSKCDZELJTAM-UHFFFAOYSA-N

物化性质

• 沸点：
  226.9±8.0 °C(Predicted)
• 密度：
  0.957±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-氧代-2-丙基戊酸乙酯 生成 6-氧代-辛酸
  参考文献：
  名称：

  Blaise; Koehler, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1909, vol. 148, p. 490

  摘要：

  DOI：
• 作为产物：
  描述：

  戊酸乙酯 、 丙酰氯 生成 3-氧代-2-丙基戊酸乙酯
  参考文献：
  名称：

  KASSAHUN, KELEM;FARRELL, KEVIN;ZHENG, JIAOJIAO;ABBOTT, FRANK, J. CHROMATOGR. BIOMED. APPL., 527,(1990) N, C. 327-341

  摘要：

  DOI：

文献信息

• PYRAZOLO COMPOUNDS AND USES THEREOF
  申请人：GENENTECH, INC.

  公开号：US20160060267A1

  公开（公告）日：2016-03-03

  Provided are compounds useful as inhibitors of one or more histone demethylases, such as KDM5. The invention also provides pharmaceutically acceptable compositions comprising compounds of the present invention and methods of using the present composition in the treatment of various disorders.

  提供了一些化合物，可以用作一种或多种组蛋白去甲基化酶（如KDM5）的抑制剂。本发明还提供了包含本发明化合物的药学上可接受的组合物，并提供使用该组合物治疗各种疾病的方法。
• Method of preparing a polyamide acid composition for preparing polyimide
  申请人：KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA

  公开号：EP0114059A2

  公开（公告）日：1984-07-25

  A polyamide acid composition for preparing a polyimide which is improved in the stability in a form of solution and can extend the pot life of the composition comprising a solution of a polyamide acid in an organic solvent, the polyamide acid being a precursor of the polyimide, and an N-substituted heterocyclic compound as a chemical treating agent which can lower a rate of conversion of the polyamide acid to the polyimide. The pot life can be extremely extended to give the composition an enough flowability for a long time without reducing the excellent properties such as a heat resistance of the obtained polyimide.

  一种用于制备聚酰亚胺的聚酰胺酸组合物，该组合物在溶液形式下的稳定性得到改善，并可延长其罐装寿命，该组合物包括聚酰胺酸在有机溶剂中的溶液，聚酰胺酸是聚酰亚胺的前体，以及一种 N-取代杂环化合物作为化学处理剂，可降低聚酰胺酸转化为聚酰亚胺的速率。可以极大地延长罐装寿命，使组合物在长时间内具有足够的流动性，而不会降低所获得的聚酰亚胺的优异性能，如耐热性。
• Pyrazolo compounds and uses thereof
  申请人：CONSTELLATION PHARMACEUTICALS, INC.

  公开号：US10035801B2

  公开（公告）日：2018-07-31

  Provided are compounds useful as inhibitors of one or more histone demethylases, such as KDM5. The invention also provides pharmaceutically acceptable compositions comprising compounds of the present invention and methods of using the present composition in the treatment of various disorders.

  本发明提供了可作为一种或多种组蛋白去甲基化酶（如 KDM5）抑制剂的化合物。本发明还提供了包含本发明化合物的药学上可接受的组合物，以及使用本发明组合物治疗各种疾病的方法。
• v. Auwers; Dersch, Justus Liebigs Annalen der Chemie, 1928, vol. 462, p. 117
  作者：v. Auwers、Dersch

  DOI：——

  日期：——
• Design, Synthesis, and Pharmacological Evaluation of Monocyclic Pyrimidinones as Novel Inhibitors of PDE5
  作者：Guan Wang、Zheng Liu、Tiantian Chen、Zhen Wang、Huaiyu Yang、Mingyue Zheng、Jing Ren、Guanghui Tian、Xiaojun Yang、Li Li、Jianfeng Li、Jin Suo、Rongxia Zhang、Xiangrui Jiang、Nicholas Kenneth Terrett、Jingshan Shen、Yechun Xu、Hualiang Jiang

  DOI：10.1021/jm301159y

  日期：2012.12.13

  Cyclic nucleotide phosphodiesterase type 5 (PDES) is a prime drug target for treating the diseases associated with a lower level of the cyclic guanosine monophosphate (cGMP), which is a specific substrate for PDE5 hydrolysis. Here we report a series of novel PDE5 inhibitors with the new scaffold of the monocyclic pyrimidin-4(3H)-one ring developed using the structure-based discovery strategy. In total, 37 derivatives of the pyrimidin-4(3H)-ones, were designed, synthesized, and evaluated for their inhibitory activities to PDES, resulting in 25 compounds with IC50 ranging from 1 to 100 nM and 11 compounds with IC50 ranging from 1 to 10 nM. Compound 5, 5,6-diethyl-2[2-n-propoxy-5-(4-methyl-1-piperazinylsulfonyl)phenyl]pyrimid-4(3H)-one, the most potent compound, has an excellent IC50 (1.6 nM) in vitro and a good efficacy in a rat model of erection. It thus provides a potential candidate for the further development into a new drug targeting PDE5.