5-乙酰基-4-羟基噻吩-2-羧酸甲酯 | 104992-12-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 5-乙酰基-4-羟基噻吩-2-羧酸甲酯
• 英文名称: 5-Acetyl-4-hydroxy-2-methoxycarbonylthiophene
• 英文别名: 2-Thiophenecarboxylic acid, 5-acetyl-4-hydroxy-, methyl ester；methyl 5-acetyl-4-hydroxythiophene-2-carboxylate
• CAS: 104992-12-3
• 化学式: C₈H₈O₄S
• 分子量: 200.215
• InChiKey: XLHGRPHSXOGTRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  91.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-乙酰基-4-羟基噻吩-2-羧酸甲酯 在 copper bronze sodium hydroxide 作用下， 以 喹啉 为溶剂， 反应 4.0h， 生成 3-羟基-2-噻吩乙酮
  参考文献：
  名称：

  A Synthesis of 2-ACYL- 3-Hydroxythiophenes

  摘要：

  2-Acyl-3-hydroxythiophenes have been made by the reaction of the anion of a mercaptoketone with dimethyl acetylenedicarboxylate to give a hydroxythiophene ester which is then hydrolysed and decarboxylated.

  DOI：

  10.1080/00397919608003715
• 作为产物：
  描述：

  4-hydroxy-2-methoxycarbonylthiophene 在 三氯化铝 作用下， 以 氯仿 为溶剂， 反应 4.0h， 生成 5-乙酰基-4-羟基噻吩-2-羧酸甲酯
  参考文献：
  名称：

  Banks, Malcolm R., Journal of the Chemical Society. Perkin transactions I, 1986, p. 507 - 514

  摘要：

  DOI：

文献信息

• [EN] ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] DÉRIVÉS FUSIONNÉS D'ACIDE CYCLOPENTANE-CARBOXYLIQUE À SUBSTITUTION ACYLAMINO, ET LEUR UTILISATION COMME PRODUITS PHARMACEUTIQUES
  申请人：SANOFI AVENTIS

  公开号：WO2009135590A1

  公开（公告）日：2009-11-12

  The present invention relates to compounds of the formula (I), wherein A, Y, Z, R3 to R6, R20 to R22 and R50 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula (I), their use and pharmaceutical compositions comprising them.

  本发明涉及具有式(I)的化合物，其中A，Y，Z，R3至R6，R20至R22和R50具有权利要求中指出的含义，它们是有价值的药物活性化合物。具体而言，它们是内皮分化基因受体2（Edg-2，EDG2）的抑制剂，该受体可被溶血磷脂酸（LPA）激活，也被称为LPA1受体，并且可用于治疗例如动脉粥样硬化、心肌梗死和心力衰竭等疾病。本发明还涉及制备式(I)化合物的方法、它们的使用以及包含它们的药物组合物。
• [EN] ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] DÉRIVÉS CYCLIQUES ACYLAMINO-SUBSTITUÉS DE L'ACIDE CARBOXYLIQUE ET LEUR UTILISATION EN TANT QUE PRODUITS PHARMACEUTIQUES
  申请人：SANOFI AVENTIS

  公开号：WO2011053948A1

  公开（公告）日：2011-05-05

  The present invention relates to compounds of the formula (I) wherein A, Y, Z, R20 to R22 and R50 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula (I), their use and pharmaceutical compositions comprising them.

  本发明涉及式(I)的化合物，其中A、Y、Z、R20至R22和R50具有索引中指示的含义，这些化合物是有价值的药用活性化合物。具体来说，它们是内皮分化基因受体2（Edg-2，EDG2）的抑制剂，该受体被溶血磷脂酸（LPA）激活，也被称为LPA1受体，对于治疗动脉粥样硬化、心肌梗死和心力衰竭等疾病是有用的。此外，本发明还涉及制备式(I)化合物的方法、它们的用途以及包含它们的药物组合物。
• Silver halide photographic material and methine dye
  申请人：FUJI PHOTO FILM CO., LTD.

  公开号：US20020058216A1

  公开（公告）日：2002-05-16

  Disclosed is a silver halide photographic material which comprises at least one methine dye represented by the following formula (I): 1 wherein Y represents a furan ring or a pyrrole ring, and Y may further be condensed with other 5- or 6-membered carbocyclic ring or heterocyclic ring, or may have a substituent; the bond between two carbon atoms in which Y is condensed may be a single bond or a double bond; Z represents an atomic group necessary to form a 5- or 6-membered nitrogen-containing heterocyclic ring, and Z may further be condensed with other 5- or 6-membered carbocyclic ring or heterocyclic ring; R represents a substituted or unsubstituted alkyl group, aryl group, or heterocyclic group; D represents a group necessary to form a methine dye; L 1 and L 2 each represents a methine group; p represents 0 or 1; M represents a counter ion; and m represents a number of 0 or higher necessary to neutralize the charge in the molecule.

  公开了一种银卤化物感光材料，其包含至少一种由以下式（I）表示的甲烷染料：其中，Y代表呋喃环或吡咯环，并且Y可能进一步与其他5-或6-成员碳环或杂环融合，或者可能具有取代基；Y所融合的两个碳原子之间的键可以是单键或双键；Z表示必要的原子基团，以形成5-或6-成员含氮杂环，Z可能进一步与其他5-或6-成员碳环或杂环融合；R表示取代或未取代的烷基，芳基或杂环基；D表示形成甲烷染料所必需的基团；L1和L2各代表一个甲烷基团；p表示0或1；M表示一个反离子；m表示必要的数量（大于等于0）以中和分子中的电荷。
• ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS
  申请人：SCHAEFER Matthias

  公开号：US20110152290A1

  公开（公告）日：2011-06-23

  The present invention relates to compounds of the formula I, wherein A, Y, Z, R 3 to R 6 , R 20 to R 22 and R 50 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA 1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  本发明涉及式I的化合物，其中A、Y、Z、R3至R6、R20至R22和R50具有所述权利要求中指示的含义，这些化合物是有价值的药物活性化合物。具体来说，它们是内皮分化基因受体2（Edg-2，EDG2）的抑制剂，该受体被溶血磷脂酸（LPA）激活，也称为LPA1受体，可用于治疗动脉粥样硬化、心肌梗塞和心力衰竭等疾病。本发明还涉及制备式I化合物的方法、它们的用途以及包含它们的药物组合物。
• ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS
  申请人：PERNERSTORFER Josef

  公开号：US20120264790A1

  公开（公告）日：2012-10-18

  The present invention relates to compounds of the formula I, wherein A, Y, Z, R 20 to R 22 and R 50 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA 1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  本发明涉及公式I的化合物，其中A、Y、Z、R20至R22和R50在权利要求中所示，它们是有价值的药物活性化合物。具体来说，它们是内皮分化基因受体2（Edg-2、EDG2）的抑制剂，该受体被溶血磷脂酸（LPA）激活，也被称为LPA1受体，可用于治疗动脉粥样硬化、心肌梗死和心力衰竭等疾病。本发明还涉及制备公式I化合物的方法，它们的用途以及包含它们的药物组合物。