3-(3-[(t-butoxycarbonyl)amino]methyl-4-hydroxyphenyl)-2-isopropoxypropionic acid ethyl ester | 334016-55-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-(3-[(t-butoxycarbonyl)amino]methyl-4-hydroxyphenyl)-2-isopropoxypropionic acid ethyl ester
• 英文别名: ethyl 3-[4-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-propan-2-yloxypropanoate
• CAS: 334016-55-6
• 化学式: C₂₀H₃₁NO₆
• 分子量: 381.469
• InChiKey: YIXDIHHIGSFWEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  27
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  94.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(3-[(t-butoxycarbonyl)amino]methyl-4-hydroxyphenyl)-2-isopropoxypropionic acid ethyl ester 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 乙腈 为溶剂， 反应 1.0h， 生成 3-(3-bromo-5-[(t-butoxycarbonyl)amino]methyl-4-hydroxyphenyl)-2-isopropoxypropionic acid ethyl ester
  参考文献：
  名称：

  EP1375472

  摘要：

  公开号：
• 作为产物：
  描述：

  (E,Z)-3-[azidomethyl-4-(benzyloxy)phenyl]-2-isopropoxy-2-propionic acid ethyl ester 、 二碳酸二叔丁酯 在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 为溶剂， 反应 36.0h， 生成 3-(3-[(t-butoxycarbonyl)amino]methyl-4-hydroxyphenyl)-2-isopropoxypropionic acid ethyl ester
  参考文献：
  名称：

  EP1375472

  摘要：

  公开号：

文献信息

• Benzene compound and salt thereof
  申请人：——

  公开号：US20040138271A1

  公开（公告）日：2004-07-15

  The present invention provides a medicament comprising a benzene compound useful as an insulin sensitizer, a salt thereof or a hydrate of them and a derivative of them as the active ingredient. Specifically, it provides a benzene compound represented by the following formula, a salt thereof or a hydrate of them. 1 In the formula, X represents 1) a C 6-10 aryl group which may have one or more substituents or 2) a 5- to 10-membered heteroaryl group which may have one or more substituents; Y represents a group represented by the formula: 2 (in the above formulae, R y1 , R y2 and R y3 are the same as or different from one another and each represents a hydrogen atom, a halogen atom, a C 1-6 alkyl group, a C 1-6 alkoxy group, or a C 3-7 cycloalkyl group) etc.; Z represents a group represented by the formula: 3 (in the formula, m represents an integer of 0 to 2; R z1, R z2 , R z3 and R z4 are the same as or different from one another and each represents a hydrogen atom, a halogen atom, a C 1-6 alkyl group, a C 1-6 alkoxy group, a C 3-7 cycloalkyl group, a halogenated C 1-6 alkyl group, a halogenated C 1-6 alkoxy group etc.); and R 1 , R 2 , R 3 and R 4 are the same as or different from one another and each represents a hydrogen atom, a halogen atom, a C 1-6 alkyl group, a C 1-6 alkoxy group, a C 3-7 cycloalkyl group etc.

  本发明提供了一种药物，其包括一种苯化合物，其作为胰岛素增敏剂、其盐或其水合物以及其衍生物作为活性成分。具体而言，它提供了由以下公式表示的苯化合物，其盐或其水合物。其中，X代表1）可能具有一个或多个取代基的C6-10芳基基团或2）可能具有一个或多个取代基的5-至10元杂环芳基基团；Y代表由以下公式表示的基团：2（在上述公式中，Ry1、Ry2和Ry3彼此相同或不同，每个代表氢原子、卤原子、C1-6烷基、C1-6烷氧基或C3-7环烷基等）等；Z代表由以下公式表示的基团：3（在公式中，m表示0到2的整数；Rz1、Rz2、Rz3和Rz4彼此相同或不同，每个代表氢原子、卤原子、C1-6烷基、C1-6烷氧基、C3-7环烷基、卤代C1-6烷基、卤代C1-6烷氧基等）；R1、R2、R3和R4彼此相同或不同，每个代表氢原子、卤原子、C1-6烷基、C1-6烷氧基、C3-7环烷基等。
• Carboxylic acid derivatives and drugs containing the same
  申请人：Shinoda Masanobu

  公开号：US06884821B1

  公开（公告）日：2005-04-26

  Novel carboxylic acid derivatives of general formula (I), salts of the same, esters thereof, or hydrates of them, which are useful as insulin resistance improvers; and drugs containing the derivatives as the active ingredient. In said formula, R 1 is hydrogen, hydroxyl, alkyl, or the like; L is a single bond, a double bond, alkylene, or the like; M is a single bond, alkylene, or the like; T is a single bond, alkylene, or the like; W is carboxyl, —CON(R W1 )R W2 , or the like; represents a single or double bond; X is oxygen, alkenylene, or the like; Y is an aromatic hydrocarbon group which may contain a heteroatom, or the like; and Z is an aromatic hydrocarbon group which may contain a heteroatom.

  化合物的一般式（I）的新型羧酸衍生物，其盐、酯或水合物，可用作胰岛素抵抗改善剂；以及含有该衍生物作为活性成分的药物。在所述的公式中，R1是氢、羟基、烷基或类似物；L是单键、双键、烷基或类似物；M是单键、烷基或类似物；T是单键、烷基或类似物；W是羧基、—CON（RW1）RW2或类似物；表示单键或双键；X是氧、烯基烷基或类似物；Y是芳香族碳氢基团，可以包含杂原子或类似物；Z是芳香族碳氢基团，可以包含杂原子。
• CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME
  申请人：Eisai Co., Ltd.

  公开号：EP1216980A1

  公开（公告）日：2002-06-26

  The present invention provides a novel carboxylic acid compound, a salt thereof or a hydrate of them useful as an insulin-resistant improver, and a medicament comprising the compound as an active ingredient. That is, the present invention provides a carboxylic acid compound represented by the following formula (I), a salt thereof, an ester thereof or a hydrate of them. In the formula, R1 represents hydrogen atom, hydroxyl group or a C1-6 alkyl group etc. which may have one or more substituents; L represents a single or double bond or a C1-6 alkylene group etc. which may have one or more substituents; M represents a single bond or a C1-6 alkylene group etc. which may have one or more substituents; T represents a single bond or a C1-3 alkylene group which may have one or more substituents; W represents carboxyl group or a group represented by the formula -CON(Rw1)Rw2 (wherein Rw1 and Rw2 are the same as or different from each other and each represents hydrogen atom, formyl group etc.) etc.; represents a single or double bond; X represents oxygen atom or a C2-6 alkenylene group etc. which may have one or more substituents; Y represents a C5-12 aromatic hydrocarbon group etc. which may have one or more substituents and which may have one or more heteroatoms; and ring Z represents a C5-6 aromatic hydrocarbon group which may have 0 to 4 substituents and which may have one or more heteroatoms.

  本发明提供了一种新型羧酸化合物、其盐或它们的水合物，可用作胰岛素抗性改进剂，以及包含该化合物作为活性成分的药物。也就是说，本发明提供了由下式（I）代表的羧酸化合物、其盐、酯或它们的水合物。 式中，R1 代表氢原子、羟基或 C1-6 烷基等，可有一个或多个取代基；L 代表单键或双键或 C1-6 亚烷基等，可有一个或多个取代基；M 代表单键或 C1-6 亚烷基等，可有一个或多个取代基。W 代表羧基或由式-CON(Rw1)Rw2 所代表的基团（其中 Rw1 和 Rw2 彼此相同或不同，且各自代表氢原子、甲酰基等）等。)等表示的基团；代表单键或双键；X 代表氧原子或 C2-6 烯基等，可有一个或多个取代基；Y 代表 C5-12 芳烃基等，可有一个或多个取代基，可有一个或多个杂原子；环 Z 代表 C5-6 芳烃基，可有 0 至 4 个取代基，可有一个或多个杂原子。
• BENZENE COMPOUND AND SALT THEREOF
  申请人：Eisai Co., Ltd.

  公开号：EP1375472A1

  公开（公告）日：2004-01-02

  The present invention provides a medicament comprising a benzene compound useful as an insulin sensitizer, a salt thereof or a hydrate of them and a derivative of them as the active ingredient. Specifically, it provides a benzene compound represented by the following formula, a salt thereof or a hydrate of them. In the formula, X represents 1) a C6-10 aryl group which may have one or more substituents or 2) a 5- to 10-membered heteroaryl group which may have one or more substituents; Y represents a group represented by the formula: (in the above formulae, Ry1, Ry2 and Ry3 are the same as or different from one another and each represents a hydrogen atom, a halogen atom, a C1-6 alkyl group, a C1-6 alkoxy group, or a C3-7 cycloalkyl group) etc.; Z represents a group represented by the formula: (in the formula, m represents an integer of 0 to 2; Rz1, Rz2, Rz3 and Rz4 are the same as or different from one another and each represents a hydrogen atom, a halogen atom, a C1-6 alkyl group, a C1-6 alkoxy group, a C3-7 cycloalkyl group, a halogenated C1-6 alkyl group, a halogenated C1-6 alkoxy group etc.); and R1, R2, R3 and R4 are the same as or different from one another and each represents a hydrogen atom, a halogen atom, a C1-6 alkyl group, a C1-6 alkoxy group, a C3-7 cycloalkyl group etc.

  本发明提供了一种药物，其活性成分包括一种用作胰岛素增敏剂的苯化合物、其盐或它们的水合物以及它们的衍生物。具体地说，本发明提供了由下式表示的苯化合物、其盐或它们的水合物。 式中，X 代表 1）C6-10 芳基，可具有一个或多个取代基；或 2）5-10 元杂芳基，可具有一个或多个取代基；Y 代表由式表示的基团： (在上式中，Ry1、Ry2和Ry3彼此相同或不同，且各自代表氢原子、卤素原子、C1-6烷基、C1-6烷氧基或C3-7环烷基)等；Z代表由式： (式中，m 代表 0 至 2 的整数；Rz1、Rz2、Rz3 和 Rz4 彼此相同或不同，各自代表氢原子、卤素原子、C1-6 烷基、C1-6 烷氧基、C3-7 环烷基、卤代 C1-6 烷基、卤代 C1-6 烷氧基等）；以及 R1、R2、Rz3 和 Rz4。R1、R2、R3 和 R4 彼此相同或不同，各自代表氢原子、卤素原子、C1-6 烷基、C1-6 烷氧基、C3-7 环烷基等。
• US6884821B1
  申请人：——

  公开号：US6884821B1

  公开（公告）日：2005-04-26