ethyl-2-<<4-(1H-imidazol-1-yl)phenyl>oxy>-2-methylpropanoate | 95923-64-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl-2-<<4-(1H-imidazol-1-yl)phenyl>oxy>-2-methylpropanoate
• 英文别名: ethyl 2-[p-(1-imidazolyl)phenoxy]-2-methylpropionate；ethyl 2-(4-imidazol-1-ylphenoxy)-2-methylpropanoate
• CAS: 95923-64-1
• 化学式: C₁₅H₁₈N₂O₃
• 分子量: 274.32
• InChiKey: VVBUSRDBEYFZSY-UHFFFAOYSA-N

物化性质

• 沸点：
  405.5±25.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  53.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(4-甲氧基苯基)-1H-咪唑 在 potassium tert-butylate 、 氢溴酸 作用下， 以 叔丁醇 为溶剂， 反应 12.0h， 生成 ethyl-2-<<4-(1H-imidazol-1-yl)phenyl>oxy>-2-methylpropanoate
  参考文献：
  名称：

  Cozzi; Branzoli; Carganico, Farmaco, Edizione Scientifica, 1987, vol. 42, # 3, p. 205 - 218

  摘要：

  DOI：

文献信息

• [EN] WNT PATHWAY MODULATORS<br/>[FR] MODULATEURS DE LA VOIE WNT
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2014175832A1

  公开（公告）日：2014-10-30

  The invention provides a compound of structure Ar1-Ar2-X-C(R1R2)-C(=O)-N(R3)-Ar3-Ar4 for modulating WNT activity. In this structure, Ar1, Ar2, Ar3 and Ar4 are, independently, optionally substituted aryl or heteroaryl groups; R1 and R3 are, independently, H or optionally substituted alkyl groups; R2 is H or an optionally substituted alkyl group or an alkylene group which, together with the carbon atom to which it is attached and X, forms a non-aromatic ring or an alkylene group which, together with the carbon atom to which it is attached and X and two adjacent atoms of Ar2, forms a non-aromatic ring; X is O, CR4R5, N or NR4, wherein if X is N, it is bonded to R2; R4 is H, optionally substituted alkyl or an alkylene chain, optionally containing a heteroatom and/or a carbonyl group, which, together with the C or N to which it is attached and two adjacent atoms of Ar2, forms a non-aromatic ring; R5 is H, NH2 or an optionally substituted alkyl group.

  该发明提供了一种结构为Ar1-Ar2-X-C(R1R2)-C(=O)-N(R3)-Ar3-Ar4的化合物，用于调节WNT活性。在这种结构中，Ar1、Ar2、Ar3和Ar4分别是可选择取代的芳基或杂环芳基；R1和R3分别是H或可选择取代的烷基；R2是H或可选择取代的烷基或与其连接的碳原子和X形成非芳香环的烷基，或者与其连接的碳原子、X和Ar2的两个相邻原子形成非芳香环的烷基；X是O、CR4R5、N或NR4，如果X是N，则与R2相结合；R4是H、可选择取代的烷基或含有杂原子和/或羰基的烷基链，与其连接的C或N以及Ar2的两个相邻原子形成非芳香环；R5是H、NH2或可选择取代的烷基。
• Imidazolyl phenoxy compounds and method of use
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04794113A1

  公开（公告）日：1988-12-27

  Imidazolyl phenoxy derivatives are provided as well as pharmaceutical compositions containing such derivatives. The compositions useful for lowering lipid activity in a subject and accordingly useful for reducing cholesterol and triglycerides.

  咪唑基苯氧衍生物以及含有这种衍生物的药物组合物被提供。这些组合物对于降低受试者的脂质活性有用，因此对于降低胆固醇和甘油三酯有用。
• Certain thiazol-4-yl-phenoxy derivatives having lipid lowering properties
  申请人：——

  公开号：US04942242A1

  公开（公告）日：1990-07-17

  Thiazolyl phenoxy derivatives are provided as well as pharmaceutical compositions containing such derivatives. The compositions are useful for lowering lipid activity in a subject and accordingly useful for reducing cholesterol and triglycerides.

  提供了噻唑基苯氧衍生物，以及含有这些衍生物的药物组合物。这些组合物对于降低受试者的脂质活性非常有用，因此有助于降低胆固醇和甘油三酯。
• Certain pyridyl or imidazol-1-yl-alkyleneoxy-(or
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04795753A1

  公开（公告）日：1989-01-03

  The present invention relates to novel phenoxy derivatives represented by the formula (I): ##STR1## wherein: A is an imidazolyl group, a pyridyl group, a pyridyloxy group, B is group represented by the formula: --(CH.sub.2).sub.n --O--, --(CH.sub.2).sub.n CONH(CH.sub.2).sub.k -- or --(CH.sub.2).sub.n-N (R.sup.4)-- wherein k is 0 or an integer of 1 to 5, n is an integer of 1 to 6 and R.sup.4 is hydrogen or a lower alkyl group; m is 0 or an integer of 1 to 6; R.sup.1 is a hydroxyl group, an amino group or a lower alkoxy group; R.sup.2 and R.sup.3 which may be the same or different represent, a hydrogen atom or a lower alkyl group hereafter the same, having lipid lowering activity, and salts thereof.

  本发明涉及由公式（I）表示的新的苯氧衍生物：##STR1## 其中：A是咪唑基，吡啶基，吡啶氧基，B是由公式表示的基团：--（CH.sub.2）.sub.n--O--，--（CH.sub.2）.sub.nCONH（CH.sub.2）.sub.k--或--（CH.sub.2）.sub.n-N（R.sup.4）--，其中k为0或1至5的整数，n为1至6的整数，R.sup.4为氢或较低的烷基；m为0或1至6的整数；R.sup.1为羟基，氨基或较低的烷氧基；R.sup.2和R.sup.3可以相同也可以不同，表示氢原子或较低的烷基，具有降脂作用，以及其盐。
• Certain pyridinyl or imidazolinyl-4-thiazolyl-phenoxy alkanoic acid
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04798838A1

  公开（公告）日：1989-01-17

  The present invention relates to novel phenoxy derivatives represented by the formula (I): ##STR1## wherein: A is an imidazolyl group, a pyridyl group, a pyridyloxy group, an oxo-substituted chromenyloxy group, a lower alkyl group, an amino group which may be substituted with a phenyl group or a lower alkyl group, or a carbamoyl group substituted with a cyclohexylamino group or an imidazolylalkyl group; B is a single bond, a thiazolyl group which may be substituted with a lower alkyl group, a group represented by the formula: --(CH.sub.2).sub.n --O--, --(CH.sub.2).sub.n CONH(CH.sub.2).sub.k -- or --(CH.sub.2).sub.n --N(R.sup.4)-- wherein k is 0 or an integer of 1 to 5, n is an integer of 1 to 6 and R.sup.4 is hydrogen or a lower alkyl group; m is 0 or an integer of 1 to 6; R.sup.1 is a hydroxyl group, an amino group or a lower alkoxy group; R.sup.2 and R.sup.3 which may be the same or different, represent a hydrogen atom or a lower alkyl group hereafter the same: and salts thereof. In the definition of the groups appearing in the formulae in the specification, the term "lower" refers to a straight or branched carbon chain having 1 to 5 carbon atoms, preferably 1 to 3 carbon atoms. Accordingly, specific examples of lower alkyl groups include a methyl group, an ethyl group, a propyl group, an isopropyl group, a butyl group, an isobutyl group, a sec-butyl group, a tert-butyl group, a pentyl (or amyl) group, an isopentyl group, a neopentyl group, a tert-pentyl group, etc.

  本发明涉及由式（I）表示的新型苯氧衍生物：##STR1## 其中：A是咪唑基团，吡啶基团，吡啶氧基团，氧代取代的香豆素氧基团，低碳基，氨基，该氨基可以被苯基或低碳基取代，或者是用环己氨基基团或咪唑基烷基基团取代的氨甲酰基基团；B是单键，可以被低碳基取代的噻唑基团，或由式表示的基团：--(CH.sub.2).sub.n --O--，--(CH.sub.2).sub.n CONH(CH.sub.2).sub.k --或--(CH.sub.2).sub.n --N(R.sup.4)--，其中k为0或1至5的整数，n为1至6的整数，R.sup.4为氢或低碳基；m为0或1至6的整数；R.sup.1为羟基，氨基或低烷氧基；R.sup.2和R.sup.3可以相同也可以不同，在此后均表示氢原子或低碳基；以及其盐。在规范中出现的基团的定义中，“低”一词是指具有1至5个碳原子的直链或支链碳链，最好是1至3个碳原子。因此，低碳基的具体例子包括甲基基团，乙基基团，丙基基团，异丙基基团，丁基基团，异丁基基团，仲丁基基团，叔丁基基团，戊基（或戊基）基团，异戊基基团，新戊基基团，叔戊基基团等。