4-Tert-butyl-2-methyl-1,3-thiazole-5-carboxylic acid | 1188129-03-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-Tert-butyl-2-methyl-1,3-thiazole-5-carboxylic acid
• CAS: 1188129-03-4
• 化学式: C₉H₁₃NO₂S
• 分子量: 199.27
• InChiKey: VQSOFWQCQJAHFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  78.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• 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。
• PROCESS FOR PREPARING THIAZOLECARBOXYLIC ACID CHLORIDES
  申请人：Mitsui Chemicals, Inc.

  公开号：EP0377750A1

  公开（公告）日：1990-07-18

  The invention provides a process for preparing thiazolecarboxylic acid chlorides represented by general formula (II) (wherein R1 represents a hydrogen atom, a halogen atom, a lower alkyl group, a lower alkoxy group or a lower alkyl group substituted by a halogen atom or a lower alkoxy group, and R2 represents a hydrogen atom, a lower alkyl group optionally substituted by a halogen atom or a lower alkoxy group), which comprises reacting a thiazolecarboxylic acid represented by general formula (I) (wherein R1 and R2 are as defined above with respect to general formula (II) with phosgene or trichloromethyl chloroformate in the presence or absence of a catalyst.

  本发明提供了一种制备通式(II)代表的噻唑羧酸氯化物的工艺（其中R1代表氢原子、卤素原子、低级烷基、低级烷氧基或被卤素原子或低级烷氧基取代的低级烷基，R2代表氢原子、R1代表氢原子、低级烷基、低级烷氧基或被卤素原子或低级烷氧基取代的低级烷基，R2代表氢原子、低级烷基、低级烷氧基或被卤素原子或低级烷氧基取代的低级烷基），该反应包括在催化剂存在或不存在的情况下，将通式（I）代表的噻唑羧酸（其中 R1 和 R2 如上文通式（II）所定义）与光气或氯甲酸三氯甲酯反应。
• Medicament for treatment of dermal pigmentation
  申请人：Itai Akiko

  公开号：US20070042997A1

  公开（公告）日：2007-02-22

  A medicament for preventive and/or therapeutic treatment of dermal pigmentation and/or development of skin cancer, 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 a 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 heteroaryl 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.