(Z)-ethyl 2-(ethoxymethylene)-4-methyl-3-oxopentanoate

• 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
• 英文名称: (Z)-ethyl 2-(ethoxymethylene)-4-methyl-3-oxopentanoate
• 英文别名: ethyl 2-isobutyryl-3-ethoxyacrylate；Pentanoic acid, 2-(ethoxymethylene)-4-methyl-3-oxo-, ethyl ester, (Z)-；ethyl (2Z)-2-(ethoxymethylidene)-4-methyl-3-oxopentanoate
• 化学式: C₁₁H₁₈O₄
• 分子量: 214.262
• InChiKey: QBQOFGAGRMJUSR-CLFYSBASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (Z)-ethyl 2-(ethoxymethylene)-4-methyl-3-oxopentanoate 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以61%的产率得到3-异丙基吡唑-4-羧酸乙酯
  参考文献：
  名称：

  Identification of trisubstituted-pyrazol carboxamide analogs as novel and potent antagonists of farnesoid X receptor

  摘要：

  Farnesoid X receptor (FXR, NRIH4) plays a major role in the control of cholesterol metabolism. This suggests that antagonizing the transcriptional activity of FXR is a potential means to treat cholestasis and related metabolic disorders. Here we describe the synthesis, biological evaluation, and structure-activity relationship (SAR) studies of trisubstituted-pyrazol carboxamides as novel and potent FXR antagonists. One of these novel FXR antagonists, 4j has an IC50 of 7.5 nM in an FXR binding assay and 468.5 nM in a cell-based FXR antagonistic assay. Compound 4j has no detectable FXR agonistic activity or cytotoxicity. Notably, 4j is the most potent FXR antagonist identified to date; it has a promising in vitro profile and could serve as an excellent chemical tool to elucidate the biological function of FXR. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.04.014
• 作为产物：
  描述：

  原甲酸三乙酯 、 异丁酰乙酸乙酯 在 乙酸酐 作用下， 反应 16.0h， 以69.71%的产率得到(Z)-ethyl 2-(ethoxymethylene)-4-methyl-3-oxopentanoate
  参考文献：
  名称：

  [EN] THERAPEUTIC APPLICATIONS OF MALT1 INHIBITORS
  [FR] APPLICATIONS THÉRAPEUTIQUES D'INHIBITEURS DE MALT1

  摘要：

  本发明涉及抑制剂的新应用，特别是小分子抑制剂，用于治疗某些癌症的免疫肿瘤学环境中。这意味着这些化合物是针对免疫成分而不是直接作用于肿瘤组织。

  公开号：

  WO2018141749A1

文献信息

• [EN] PYRAZOLOPYRIMIDINE AS MALT-1 INHIBITORS<br/>[FR] PYRAZOLOPYRIMIDINE UTILISÉS EN TANT QU'INHIBITEURS DE MALT-1
  申请人：MEDIVIR AB

  公开号：WO2018226150A1

  公开（公告）日：2018-12-13

  The invention provides a compound of formula (I): herein R1, R2 and R3 of series (x), (y) and (z) are as defined in the specification which are potent inhibitors of the enzyme MALT1 and are useful in an immunooncology approach to the treatment of cancer, especially bladder cancer, colon cancer, hepatocellular cancer or small cell or non-small cell lung cancer.

  该发明提供了一种化合物，其化学式为（I）：在此，系列（x）、（y）和（z）中的R1、R2和R3如规范中定义，它们是MALT1酶的有效抑制剂，并且在免疫肿瘤学方法中对癌症的治疗中特别适用，尤其是膀胱癌、结肠癌、肝细胞癌或小细胞或非小细胞肺癌。
• Substituted 4-aminoquinoline derivatives as gastric acid secretion
  申请人：SmithKline Beckman Intercredit B.V.

  公开号：US05089504A1

  公开（公告）日：1992-02-18

  Substituted 4-aminoquinazoline derivatives of the formula: ##STR1## in which R.sup.1 is hydrogen, C.sub.1-6 alkyl, C.sub.1-6 alkoxy, C.sub.1-6 alkoxyC.sub.1-6 alkyl, C.sub.3-6 cycloalkyl, C.sub.3-6 cycloalkylC.sub.1-6 alkyl, phenylC.sub.1-6 alkyl, the phenyl group being optionally substituted; R.sup.2 is hydrogen, C.sub.1-6 alkyl, C.sub.1-6 alkoxy, amino, C.sub.1-6 alkylthio, halogen, cyano, hydroxy, carbamoyl, carboxy, C.sub.1-6 alkanoyl or trifluoromethyl; m is 1 to 3; p is 0 to 4; R.sup.3 is COR.sup.4 ; R.sup.4 is hydroxy, C.sub.1-6 alkoxy, or NR.sup.5 R.sup.6 ; R.sup.5 and R.sup.6 are each hydrogen or C.sub.1-6 alkyl or together with the nitrogen atom to which they are attached form a heterocyclic ring; and R.sup.7 is hydrogen, C.sub.1-6 alkoxy or C.sub.1-6 alkyl; or a salt thereof.

  公式为：##STR1##其中R.sup.1是氢，C.sub.1-6烷基，C.sub.1-6烷氧基，C.sub.1-6烷氧基C.sub.1-6烷基，C.sub.3-6环烷基，C.sub.3-6环烷基C.sub.1-6烷基，苯基C.sub.1-6烷基，苯基可以选择性地被取代；R.sup.2是氢，C.sub.1-6烷基，C.sub.1-6烷氧基，氨基，C.sub.1-6烷基硫基，卤素，氰基，羟基，氨甲酰基，羧基，C.sub.1-6烷酰基或三氟甲基；m为1至3；p为0至4；R.sup.3是COR.sup.4；R.sup.4是羟基，C.sub.1-6烷氧基或NR.sup.5 R.sup.6；R.sup.5和R.sup.6分别是氢或C.sub.1-6烷基，或者与它们连接的氮原子一起形成杂环环；R.sup.7是氢，C.sub.1-6烷氧基或C.sub.1-6烷基；或其盐。
• Compounds substituted quinoline derivatives
  申请人：SmithKline Beecham Intercredit B.V.

  公开号：US05432182A1

  公开（公告）日：1995-07-11

  Substituted 4-aminoquinazoline derivatives which are inhibitors of gastric acid secretion. A compound of the invention are the salts of strong acids of 3-butyryl-4-(2-methylphenylamino)-8-(hydroxymethyl)quinoline.

  替代4-氨基喹唑啉衍生物是胃酸分泌抑制剂。该发明的化合物是3-丁酰基-4-(2-甲基苯胺基)-8-(羟甲基)喹啉的强酸盐。
• Amide Compounds
  申请人：Kitamura Shuji

  公开号：US20090286791A1

  公开（公告）日：2009-11-19

  The present invention provides compounds represented by the formula (Ia): the formula (Ib): the formula (Ic): and the formula (Id): wherein each symbol is as defined in the specification. According to the present invention, these compounds have a DGAT inhibitory activity and are useful for the prophylaxis, treatment or improvement of diseases or pathologies caused by high expression or high activation of DGAT.

  本发明提供的化合物由以下公式(Ia)、(Ib)、(Ic)和(Id)表示，其中每个符号如规范中所定义。根据本发明，这些化合物具有DGAT抑制活性，并且对于预防、治疗或改善由高表达或高活性的DGAT引起的疾病或病理状况是有用的。
• BORON-CONTAINING SMALL MOLECULES
  申请人：ANACOR PHARMACEUTICALS, INC.

  公开号：US20140200198A1

  公开（公告）日：2014-07-17

  Compounds, pharmaceutical formulations, and methods of treating anti-inflammatory conditions and/or helminth-associated diseases are disclosed.

  本发明涉及化合物、药物配方和治疗抗炎症状况和/或寄生虫相关疾病的方法。