2-(1-Ethylpropyl)pyrimidin | 61327-67-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-(1-Ethylpropyl)pyrimidin
• 英文别名: 2-(1-ethyl-propyl)-pyrimidine；2-(Pentan-3-yl)pyrimidine；2-pentan-3-ylpyrimidine
• CAS: 61327-67-1
• 化学式: C₉H₁₄N₂
• 分子量: 150.224
• InChiKey: BREIVKDLYHCPJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,3-丙二胺 以26%的产率得到
  参考文献：
  名称：

  TSUCHIYA MICHIHIRO; MORITA SHUSHI; TSUKAMOTO TOYHISA; OKADA JUTARO, YAKUGAKU DZASSI. JAKUGAKU ZASSNI. J. PHARM. SOS. JAR., 1976, 96, NO 8, 10+

  摘要：

  DOI：

文献信息

• INHIBITORS OF FATTY ACID AMIDE HYDROLASE
  申请人：Boger Dale L.

  公开号：US20090270421A1

  公开（公告）日：2009-10-29

  Potent inhibitors of fatty acid amide hydrolase (FAAH) are constructed having K i 's below 200 pM and activities 10 2 -10 3 times more potent than the corresponding trifluoromethyl ketones. The potent inhibitors combine several features, viz.: 1.) an α-keto heterocylic head group; 2.) a hydrocarbon linkage unit employing an optimal C12-C8 chain length; and 3.) a phenyl or other π-unsaturation corresponding to the arachidonyl Δ 8,9 /Δ 11,12 and/or oleyl Δ 9,10 positions. A preferred α-keto heterocylic head group is α-keto N4 oxazolopyridine, with incorporation of a second weakly basic nitrogen. Fatty acid amide hydrolase is an enzyme responsible for the degradation of oleamide (an endogenous sleep-inducing lipid) and anandamide (an endogenous ligand for cannabinoid receptors).

  具有Ki值低于200 pM的脂肪酸酰胺水解酶（FAAH）的强效抑制剂被构建出来，其活性比相应的三氟甲基酮高102-103倍。这些强效抑制剂结合了几个特征，即：1）α-酮杂环头基团；2）使用最佳C12-C8链长的烃链连接单元；和3）与花生四烯酸Δ8,9/Δ11,12和/或油酸Δ9,10位置相对应的苯基或其他π-不饱和度。首选的α-酮杂环头基团是α-酮N4噁唑吡啶，并结合第二个弱碱性氮。脂肪酸酰胺水解酶是一种酶，负责降解油酰胺（一种内源性诱导睡眠的脂质）和阿那达胺（一种内源性的大麻素受体配体）。
• ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS
  申请人：Boger Dale L.

  公开号：US20110183947A1

  公开（公告）日：2011-07-28

  The invention provides a series of -αketoheterocyclic compounds, for example, compounds of formula (I). The compounds can inhibit fatty acid amide hydrolase and can be useful for treatment of malconditions modulated by fatty acid amide hydrolase. The invention further provides methods of making compounds of formula (I), useful intermediates for the preparation of compounds of formula (I), and methods of using compounds of formula (I) and compositions thereof.

  本发明提供了一系列-α酮杂环化合物，例如，公式（I）的化合物。这些化合物可以抑制脂肪酸酰胺水解酶，并可用于治疗由脂肪酸酰胺水解酶调节的异常情况。本发明还提供了制备公式（I）化合物的方法，用于制备公式（I）化合物的有用中间体，以及使用公式（I）化合物及其组成物的方法。
• PSORALEN DERIVATIVES FOR PREVENTING OR TREATING HEART FAILURE OR CARDIAC HYPERTROPHY
  申请人：MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN

  公开号：US20160008339A1

  公开（公告）日：2016-01-14

  The present invention relates to compound characterized by a general formula 1, wherein R 1 is a aryl or a heteroaryl, and —R 2 and R 3 independently of each other are hydrogen or a C 1 -C 5 alkyl, but at least one of R 2 and R 3 is not hydrogen, or together are a C 3 or C 4 alkyl forming a 5- or 6 membered ring, for use in a method for treating of heart failure, hypertension, cardiac hypertrophy or cancer.

  本发明涉及一种化合物，其具有一般式1的特征，其中R1是芳基或杂环基，而-R2和R3各自独立地是氢或C1-C5烷基，但至少有一个R2和R3不是氢，或者一起是C3或C4烷基形成5或6元环，用于治疗心力衰竭、高血压、心脏肥大或癌症的方法。
• [EN] IMIDAZOPYRIDINYL INHIBITORS OF PLASMA KALLIKREIN<br/>[FR] INHIBITEURS IMIDAZOPYRIDINYLE DE LA KALLICRÉINE PLASMATIQUE
  申请人：SHIRE HUMAN GENETIC THERAPIES

  公开号：WO2022197755A1

  公开（公告）日：2022-09-22

  The present invention provides compounds and compositions thereof which are useful as inhibitors of plasma kallikrein and which exhibit desirable characteristics for the same.

  本发明提供了一种化合物及其组合物，可用作血浆卡利肌酶的抑制剂，且具有相同的理想特性。
• Inhibitors of fatty acid amide hydrolase
  申请人：The Scripps Research Institute

  公开号：EP2093220A2

  公开（公告）日：2009-08-26

  Improved competitive inhibitors of fatty acid amide hydrolase (FAAH) employ an alpha-keto heterocyclic pharmacophore and a binding subunit having a pi-unsaturation. The alpha-keto heterocyclic pharmacophore and a binding subunit are attached to one another, preferably by a hydrocarbon chain. The improvement lies in the use of a heterocyclic pharmacophore selected from oxazoles, oxadiazoles, thiazoles, and thiadiazoles that have alkyl or aryl substituents at their 4 and/or 5 positions. The improved competitive inhibitors of FAAH display enhanced activity over conventional competitive inhibitors of FAAH.

  改进的脂肪酸酰胺水解酶（FAAH）竞争性抑制剂采用了α-酮杂环药源和具有对不饱和度的结合亚基。α-酮杂环药基和结合亚基彼此连接，最好是通过烃链连接。改进之处在于使用了选自噁唑、噁二唑、噻唑和噻二唑的杂环嗜药体，这些杂环嗜药体的 4 和/或 5 位具有烷基或芳基取代基。与传统的 FAAH 竞争性抑制剂相比，改进的 FAAH 竞争性抑制剂显示出更强的活性。