2,2-二乙氧基乙脒 | 82392-83-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2,2-二乙氧基乙脒
• 英文名称: diethoxyacetamidine
• 英文别名: 2,2-Diethoxyethanimidamide
• CAS: 82392-83-4
• 化学式: C₆H₁₄N₂O₂
• mdl: MFCD05662943
• 分子量: 146.189
• InChiKey: KDPBTKVANKRYFT-UHFFFAOYSA-N

物化性质

• 沸点：
  183.1±50.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  68.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,2-二乙氧基乙脒 在 氯化亚砜 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 6-Chloro-2-diethoxymethyl-5-methyl-pyrimidine-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  抗肿瘤抗生素博来霉素的合成研究。十三。合成2-甲酰基嘧啶，博来霉素的嘧啶部分的关键中间体。

  摘要：

  成功实现了博来霉素嘧啶核的高效合成。二乙氧基乙酰胺与乙基乙氧基丙二酸酯反应生成了产率为76%的乙基2-二乙氧基甲基-6-羟基-5-甲基嘧啶-4-羧酸酯；随后，通过与POCl3反应，该产物转化为产率为85%的乙基6-氯-2-甲醛-5-甲基嘧啶-4-羧酸酯。

  DOI：

  10.1248/cpb.33.515
• 作为产物：
  描述：

  二乙氧基乙腈 在 氮气 、 sodium methylate 、 氯化铵 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 21.0h， 生成 2,2-二乙氧基乙脒
  参考文献：
  名称：

  四取代的咪唑啉作为有效和选择性神经肽Y Y5受体拮抗剂的发现：减少人类以太相关基因钾通道结合亲和力和有效的抗肥胖作用

  摘要：

  合成了一系列新型咪唑啉衍生物，并将其评估为神经肽Y（NPY）Y5受体拮抗剂。通过在咪唑啉环的5-位引入取代基并修饰双（4-氟苯基）部分，尝试优化先前报道的咪唑啉导线1a和1b。鉴定了许多没有人类以太相关基因钾通道（hERG）活性的有效衍生物。包括2a在内的选定化合物被证明具有出色的大脑和CSF渗透性。化合物2a对慢性体内研究显示出合适的药代动力学特征，并有效抑制了d -Trp 34NPY诱导的大鼠急性食物摄入。在饮食诱导的肥胖小鼠模型中，口服2a可有效降低体重。

  DOI：

  10.1021/jm900110t

文献信息

• HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160237059A1

  公开（公告）日：2016-08-18

  The present application relates to novel heterocyclically substituted 6-(trifluoromethyl)pyrimidin-4(3H)-one derivatives, to processes for their preparation, to their use alone or in combinations for the treatment and/or prevention of diseases, and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for treatment and/or prevention of cardiovascular, renal, inflammatory and fibrotic diseases.

  本申请涉及新颖的杂环取代的6-(三氟甲基)嘧啶-4(3H)-酮衍生物，其制备方法，它们单独或组合用于治疗和/或预防疾病，以及它们用于制备用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管、肾脏、炎症和纤维化疾病。
• [EN] COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY<br/>[FR] COMPOSÉS ET COMPOSITIONS COMME MODULATEURS D'ACTIVITÉ DE GPR119
  申请人：IRM LLC

  公开号：WO2009105717A1

  公开（公告）日：2009-08-27

  The invention provides compounds of Formula (I): pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with the activity of GPR119.

  该发明提供了Formula (I)的化合物：包括这些化合物的药物组合物以及使用这些化合物治疗或预防与GPR119活性相关的疾病或疾病的方法。
• [EN] AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS CYCLIQUES AROMATIQUES AZOTÉS À 6 CHAÎNONS ET LEUR UTILISATION
  申请人：MITSUBISHI TANABE PHARMA CORP

  公开号：WO2010030027A1

  公开（公告）日：2010-03-18

  The present invention provides aromatic nitrogen-containing 6-membered ring compounds having execellent PDE10 inhibitory activity. The present invention relates to an aromatic nitrogen-containing 6-membered ring compound represented by the following formula [I0] or a pharmaceutically acceptable salt thereof, a method for preparing the same, and use of said compounds for PDE10 inhibitors, and a pharmaceutical composition comprising said compounds as an active ingredient: Formula [I0] wherein: X1, X2 and X3 each independently are N or CH, and at least two of X1, X2 and X3 are N; A is *-CH=CH-, *-C(Alk)=CH-, *-CH2-CH2- or *-O-CH2- (* is a bond with R1); Alk is a lower alkyl group; Ring B is an optionally substituted nitrogen-containing aliphatic heterocyclic group; R1 is an optionally substituted nitrogen-containing heterocyclic group, a nitrogen-containing heterocyclic moiety of which is a moiety selected from the group consisting of quinoxalinyl, quinolyl, isoquinolyl, quinazolinyl, pyrazinyl, pyrimidinyl and a moiety thereof fused with a 5 to 6-membered aliphatic ring thereto; Y0 is a group selected from the group consisting of the following (1) to (5): (1) an optionally substituted phenyl or an optionally substituted aromatic monocyclic 5 to 6-membered heterocyclic group; (2) an optionally substituted aminocarbonyl; (3) an optionally substituted amino lower alkyl; (4) -O-R2 wherein R2 is hydrogen, an optionally substituted lower alkyl, lower cycloalkyl, aliphatic monocyclic 5 to 6-membered heterocyclic group, or Formula [AA]; (5) mono- or di-substituted amino; provided that, when Y0 is mono- or di-substituted amino, the nitrogen-containing heterocyclic moiety of R1 is not quinoxalinyl or quinolyl.

  本发明提供了具有出色的PDE10抑制活性的芳香氮含6元环化合物。本发明涉及以下式[I0]所代表的芳香氮含6元环化合物或其药学上可接受的盐，其制备方法，以及将所述化合物用作PDE10抑制剂，以及包含所述化合物作为活性成分的药物组合物：式[I0]其中：X1、X2和X3各自独立地为N或CH，并且至少两个X1、X2和X3为N；A为*-CH=CH-，*-C(Alk)=CH-，*-CH2-CH2-或*-O-CH2-（*为与R1的键）；Alk为低碳烷基基团；环B为可选择取代的含氮脂肪杂环基团；R1为可选择取代的含氮杂环基团，其中的氮杂环基团为从喹喔啉基，喹啉基，异喹啉基，喹唑啉基，吡嗪基，嘧啶基中选取的基团，或者与其中的5至6元脂环融合的基团；Y0为从以下（1）到（5）组成的基团：（1）可选择取代的苯基或可选择取代的芳香单环5至6元杂环基团；（2）可选择取代的氨基羰基；（3）可选择取代的氨基低碳烷基；（4）-O-R2其中R2为氢，可选择取代的低碳烷基，低环烷基，脂肪单环5至6元杂环基团，或式[AA]；（5）单取代或双取代氨基；但是，当Y0为单取代或双取代氨基时，R1的含氮杂环基团不是喹喔啉基或喹啉基。
• SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS
  申请人：Huang Liming

  公开号：US20100056506A1

  公开（公告）日：2010-03-04

  The present invention relates to compounds of formula (I), or a pharmaceutically acceptable salt or solvate thereof, wherein: R 1 , R 2 , Z 1 , t, and ring A are as defined in the specification. The invention also relates to pharmaceutical compositions comprising the compounds of formula (I) and methods of treating a condition that is mediated by the modulation of JNK, such as diabetes, the method comprising administering to a mammal an effective amount of a compound of formula (I).

  本发明涉及公式（I）的化合物，或其药学上可接受的盐或溶剂，其中：R1、R2、Z1、t和环A如规范中所定义。本发明还涉及包含公式（I）化合物的制药组合物以及治疗通过调节JNK介导的疾病的方法，如糖尿病，该方法包括向哺乳动物投与公式（I）化合物的有效量。
• AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE
  申请人：Morimoto Hiroshi

  公开号：US20110166135A1

  公开（公告）日：2011-07-07

  The present invention provides aromatic nitrogen-containing 6-membered ring compounds having excellent PDE10 inhibitory activity. The present invention relates to an aromatic nitrogen-containing 6-membered ring compound represented by the following formula [I 0 ] or a pharmaceutically acceptable salt thereof, a method for preparing the same, and use of said compounds for PDE10 inhibitors, and a pharmaceutical composition comprising said compounds as an active ingredient: Formula [I 0 ] wherein: X 1 , X 2 and X 3 each independently are N or CH, and at least two of X 1 , X 2 and X 3 are N; A is *—CH═CH—, *—C(Alk)=CH—, *—CH 2 —CH 2 — or *—O—CH 2 — (* is a bond with R 1 ); Alk is a lower alkyl group; Ring B is an optionally substituted nitrogen-containing aliphatic heterocyclic group; R 1 is an optionally substituted nitrogen-containing heterocyclic group, a nitrogen-containing heterocyclic moiety of which is a moiety selected from the group consisting of quinoxalinyl, quinolyl, isoquinolyl, quinazolinyl, pyrazinyl, pyrimidinyl and a moiety thereof fused with a 5 to 6-membered aliphatic ring thereto; Y 0 is a group selected from the group consisting of the following (1) to (5): (1) an optionally substituted phenyl or an optionally substituted aromatic monocyclic 5 to 6-membered heterocyclic group; (2) an optionally substituted aminocarbonyl; (3) an optionally substituted amino lower alkyl; (4) —O—R 2 wherein R 2 is hydrogen, an optionally substituted lower alkyl, lower cycloalkyl, aliphatic monocyclic 5 to 6-membered heterocyclic group, or Formula [AA]; (5) mono- or di-substituted amino; provided that, when Y 0 is mono- or di-substituted amino, the nitrogen-containing heterocyclic moiety of R 1 is not quinoxalinyl or quinolyl.

  本发明提供了具有优异的PDE10抑制活性的芳香族含氮6元环化合物。本发明涉及以下式[I0]或其药学上可接受的盐，其为一种芳香族含氮6元环化合物，以及其制备方法，用于PDE10抑制剂的化合物和包含该化合物作为活性成分的药物组合物：式[I0]其中：X1、X2和X3各自独立地为N或CH，且至少两个X1、X2和X3为N；A为*—CH═CH—、*—C(Alk)=CH—、*—CH2—CH2—或*—O—CH2—（*为R1的键）；Alk为低碳基；环B为可选取代的含氮脂肪族杂环基；R1为可选取代的含氮杂环基，其中含氮杂环基是从喹啉基、喹啉基、异喹啉基、喹唑啉基、吡嗪基、嘧啶基和它们与5至6元脂环环融合的基中选择的基；Y0为从以下组合中选择的基（1）到（5）：（1）可选取代的苯基或可选取代的芳香单环5至6元杂环基；（2）可选取代的氨基甲酰基；（3）可选取代的氨基低碳基；（4）—O—R2，其中R2为氢、可选取代的低碳基、低环烷基、脂肪单环5至6元杂环基或式[AA]；（5）单取代或双取代的氨基；但当Y0为单取代或双取代的氨基时，R1的含氮杂环基不是喹啉基或喹啉基。