2-甲基-4-苯基-1,3-噻唑-5-羧酸乙酯 | 32043-95-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-甲基-4-苯基-1,3-噻唑-5-羧酸乙酯
• 英文名称: 2-methyl-4-phenyl-thiazole-5-carboxylic acid ethyl ester
• 英文别名: ethyl 2-methyl-4-phenyl-5-thiazolecarboxylate；2-Methyl-4-phenylthiazol-5-carbonsaeureaethylester；Ethyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
• CAS: 32043-95-1
• 化学式: C₁₃H₁₃NO₂S
• mdl: MFCD07346320
• 分子量: 247.318
• InChiKey: UHLMXNFHHFDVPW-UHFFFAOYSA-N

物化性质

• 熔点：
  44 °C
• 沸点：
  392.2±30.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  67.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934100090
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  2-甲基-4-苯基-1,3-噻唑-5-羧酸乙酯 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 以87%的产率得到2-甲基-4-苯基-1,3-噻唑-5-羧酸
  参考文献：
  名称：

  一般有效的PIFA介导的杂环稠合喹啉酮衍生物的合成

  摘要：

  高价碘试剂苯基碘（III）双（三氟乙酸盐）（PIFA）的新应用已被开发出来，用于以一般和有效的方式构建一系列含N，O，S的杂环稠合喹啉酮衍生物。还提出了通过PIFA介导的芳基-杂芳基偶联反应形成这些新的三环杂环的另一种方法。

  DOI：

  10.1016/s0040-4020(02)00903-1
• 作为产物：
  描述：

  苯甲酰乙酸乙酯 在 磺酰氯 作用下， 以 四氯化碳 、 乙醇 为溶剂， 反应 7.0h， 生成 2-甲基-4-苯基-1,3-噻唑-5-羧酸乙酯
  参考文献：
  名称：

  [EN] CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF
  [FR] MODULATEURS DE CALPAIN ET LEURS UTILISATIONS THÉRAPEUTIQUES

  摘要：

  公开号：

  WO2018064119A8

文献信息

• Azole-phenyl urea derivatives as ACAT inhibitors and their production
  申请人：NIHON NOHYAKU CO., LTD.

  公开号：EP0761658A1

  公开（公告）日：1997-03-12

  The present invention relates to azole-phenyl urea derivatives represented by the general formula (I): [wherein each of R1, R2 and R3 is H, halogen, C1-8alkyl or the like, and A is a group represented by the formula (i) or (ii): (wherein R4, R5, R6 and X are as defined in the specification.)] and a pharmacologically acceptable salt thereof, which have ACAT-inhibitory activity and are useful as a prophylactic and therapeutic agent for hypercholesterolemia, atherosclerosis and various diseases caused by them; a process for producing said derivative; and an ACAT inhibitor containing said derivative or salt as an active ingredient.

  本发明涉及一种由通式（I）表示的唑-苯基脲衍生物： [其中R1、R2和R3中的每一个是H、卤素、C1-8烷基或类似物，A是由式（i）或（ii）表示的基团： （其中R4、R5、R6和X如规范中定义。）]及其药理学上可接受的盐，具有ACAT抑制活性，并可用作高胆固醇血症、动脉粥样硬化及由其引起的各种疾病的预防和治疗剂；生产该衍生物的方法；以及含有该衍生物或盐作为活性成分的ACAT抑制剂。
• INFLAMMATORY CYTOKINE RELEASE INHIBITOR
  申请人：MUTO Susumu

  公开号：US20090192122A2

  公开（公告）日：2009-07-30

  A medicament having inhibitory activity against NF-κB activation, which comprises a compound represented by the following general formula (I) or a pharmacologically acceptable salt as an active ingredient: wherein X represents a connecting group, A represents hydrogen atom or acetyl group, E represents an aryl group or a heteroaryl group, and ring X represents an arene or a heteroarene.

  一种具有抑制NF-κB激活活性的药物，其包括以下通式(I)所表示的化合物或其药理学上可接受的盐作为活性成分：其中X代表连接基，A代表氢原子或乙酰基，E代表芳基或杂芳基，环X代表芳烃或杂芳烃。
• MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES
  申请人：MUTO Susumu

  公开号：US20080234233A1

  公开（公告）日：2008-09-25

  A medicament for preventive and/or therapeutic treatment of neurodegenerative diseases such as Alzheimer's disease or the like which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein A represents hydrogen atom or acetyl group, E represents a 2,5-di-substituted or a 3,5-di-substituted phenyl group, or a monocyclic or a fused polycyclic heteroaryl group which may be substituted, provided that the compound wherein said heteroaryl group is circle around (1)} a fused polycyclic heteroaryl group wherein the ring which binds directly to —CONH— group in the formula (I) is a benzene ring, circle around (2)} unsubstituted thiazol-2-yl group, or circle around (3)} unsubstituted benzothiazol-2-yl group is excluded, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above.

  这是一种用于预防和/或治疗神经退行性疾病，如阿尔茨海默病等的药物，其包括以下通式（I）所表示的化合物中所选的一种作为活性成分，以及其药学上可接受的盐、水合物和溶剂化合物：其中，A代表氢原子或乙酰基，E代表2,5-二取代或3,5-二取代苯基，或单环或融合的多环杂环芳基，可以取代，但是当所述杂环芳基为圆圈1}在公式（I）中直接结合—CONH—基团的环为苯环，圆圈2}未取代的噻唑-2-基团，或圆圈3}未取代的苯并噻唑-2-基团时，排除在外，环Z代表一个芳烃，除了由公式—O-A所表示的基团和由公式—CONH-E所表示的基团外，还可以有一个或多个取代基，其中A具有上述定义的相同含义，E具有上述定义的相同含义，或者代表一个杂芳烃，除了由公式—O-A所表示的基团和由公式—CONH-E所表示的基团外，还可以有一个或多个取代基。
• ANTIALLERGIC AGENTS
  申请人：Muto Susumu

  公开号：US20080090779A1

  公开（公告）日：2008-04-17

  A medicament for the preventive and/or therapeutic treatment of allergic diseases and/or endometriosis and/or hysteromyoma which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein X represents a connecting group whose number of atoms in the main chain is 2 to 5 (said connecting group may be substituted), A represents hydrogen atom or acetyl group, E represents an aryl group which may be substituted or a hetero aryl group which may be substituted, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above.

  一种预防和/或治疗过敏性疾病和/或子宫内膜异位症和/或子宫肌瘤的药物，其包括以下通式（I）所表示的化合物或其药学上可接受的盐、水合物和溶剂化物作为活性成分，其中X表示连接基，其主链中原子数为2至5（该连接基可以被取代），A表示氢原子或乙酰基，E表示芳基或取代的杂芳基，环Z表示苯环，除了由公式-O-A表示的基团，该苯环还可以具有一个或多个取代基团，其中A的含义与上述定义相同，而由公式-X-E表示的基团中，每个X和E的含义也与上述定义相同，或者是一个杂环，除了由公式-O-A表示的基团，该杂环还可以具有一个或多个取代基团，其中A的含义与上述定义相同，而由公式-X-E表示的基团中，每个X和E的含义也与上述定义相同。
• Antiallergic agents
  申请人：Muto Susumu

  公开号：US20070185059A1

  公开（公告）日：2007-08-09

  A medicament for the preventive and/or therapeutic treatment of allergic diseases and/or endometriosis and/or hysteromyoma which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein X represents a connecting group whose number of atoms in the main chain is 2 to (said connecting group may be substituted), A represents hydrogen atom or acetyl group, E represents an aryl group which may be substituted or a hetero aryl group which may be substituted, ring Z represents an arene which may have one or more substitutents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above, or a heteroarene which may have one or more substitutents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above.

  一种用于预防和/或治疗过敏性疾病和/或子宫内膜异位症和/或子宫肌瘤的药物，其活性成分包括以下通式（I）表示的化合物或其药学上可接受的盐、水合物和溶剂化物中的一种，其中X代表连接基，其主链中的原子数为2到（该连接基可以被取代），A代表氢原子或乙酰基，E代表芳基或取代的杂环芳基，环Z代表芳烃，除了由公式-O-A表示的基团外，还可以有一个或多个取代基，其中A具有上述定义的相同含义，并且由公式-X-E表示的基团，其中X和E的每个都具有上述定义的相同含义，或者可以有一个或多个取代基的杂芳烃，其中A具有上述定义的相同含义，并且由公式-X-E表示的基团，其中X和E的每个都具有上述定义的相同含义。