(4S)-3-(2S)-3-[3-(aminomethyl)-4-methoxyphenyl]-2-isopropoxypropanoyl-4-benzyl-1,3-oxazolane-2-one hydrochloride | 334016-04-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4S)-3-(2S)-3-[3-(aminomethyl)-4-methoxyphenyl]-2-isopropoxypropanoyl-4-benzyl-1,3-oxazolane-2-one hydrochloride
• 英文别名: (4S)-3-[(2S)-3-[3-(aminomethyl)-4-methoxyphenyl]-2-propan-2-yloxypropanoyl]-4-benzyl-1,3-oxazolidin-2-one;hydrochloride
• CAS: 334016-04-5
• 化学式: C₂₄H₃₀N₂O₅*ClH
• 分子量: 462.974
• InChiKey: INSPKTVTMQZDMI-DTRWSJPISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  91.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  hydrochloric acid-ethyl acetate 、 tert-butyl N-(5-(1R,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolane-3-yl]-1-hydroxy-2-isopropoxy-3-oxopropyl-2-methoxybenzyl)carbamate 生成 (4S)-3-(2S)-3-[3-(aminomethyl)-4-methoxyphenyl]-2-isopropoxypropanoyl-4-benzyl-1,3-oxazolane-2-one hydrochloride
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• 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。
• US6884821B1
  申请人：——

  公开号：US6884821B1

  公开（公告）日：2005-04-26