2-(3,5-Dimethyl-phenoxy)-N-(6-nitro-benzothiazol-2-yl)-acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(3,5-Dimethyl-phenoxy)-N-(6-nitro-benzothiazol-2-yl)-acetamide
• 英文别名: 2-(3,5-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
• 化学式: C17H15N3O4S
• 分子量: 357.4
• InChiKey: OBRILHGPXWEQIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging
  申请人：——

  公开号：US20020022622A1

  公开（公告）日：2002-02-21

  Provided are, among other things, compounds of formula I or IA, 1 . Also provided are methods of treatment with such compounds.

  提供的是公式I或IA,1的化合物，以及使用这些化合物进行治疗的方法。
• Neurodegenerative Therapies
  申请人：LYTIX BIOPHARMA AS

  公开号：US20170007583A1

  公开（公告）日：2017-01-12

  The present invention provides a compound of formula (I) wherein: Y represents a C or N atom which may be substituted or form a cyclic group with R′″ but may not be a quaternary C atom; R′ is —OR 1 , —CONH 2 , —CF 3 , F, —OH, —NO 2 , —CN or —OCOR 1 in which R 1 , is C 1-3 alkyl and each may be in the beta or gamma position; R″ is C 1-3 alkyl or H; and R′″ is H or a group consisting of 1-12 non-hydrogen atoms and may be linear, branched and/or incorporate one or more cyclic groups, cyclic groups may be aromatic and/or heterocyclic and 2 or more cyclic groups may be linked or fused and each may be substituted; or a salt, hydrate or solvate of a compound of formula (I) for use in the treatment or prevention of a neurodegenerative disorder by inhibiting formation of neurofibrillary (tau) tangles and/or by inhibiting Dyrk 1A. The invention further relates to non-therapeutic uses of these compounds.

  本发明提供了一种具有以下结构的化合物（I）：其中：Y代表一个C或N原子，可以被取代或与R′″形成一个环状基团，但不能是一个季铵C原子；R′是—OR1，—CONH2，—CF3，F，—OH，—NO2，—CN或—OCOR1，在其中R1是C1-3烷基，每个可能处于β或γ位置；R″是C1-3烷基或H；而R′″是H或由1-12个非氢原子组成的基团，可以是线性的、支链的和/或包含一个或多个环状基团，环状基团可以是芳香的和/或杂环的，并且2个或更多个环状基团可以连接或融合，每个都可以被取代；或者化合物（I）的盐、水合物或溶剂化合物，用于通过抑制神经纤维缠结（tau）和/或抑制Dyrk 1A的形成来治疗或预防神经退行性疾病。该发明还涉及这些化合物的非治疗用途。
• Neurodegenerative therapies
  申请人：LYTIX BIOPHARMA AS

  公开号：US10231954B2

  公开（公告）日：2019-03-19

  The present invention provides a compound of formula (I) wherein: Y represents a C or N atom which may be substituted or form a cyclic group with R″′ but may not be a quaternary C atom; R′ is —OR1, —CONH2, —CF3, F, —OH, —NO2, —CN or —OCOR1 in which R1, is C1-3 alkyl and each may be in the beta or gamma position; R″ is C1-3 alkyl or H; and R″′ is H or a group consisting of 1-12 non-hydrogen atoms and may be linear, branched and/or incorporate one or more cyclic groups, cyclic groups may be aromatic and/or heterocyclic and 2 or more cyclic groups may be linked or fused and each may be substituted; or a salt, hydrate or solvate of a compound of formula (I) for use in the treatment or prevention of a neurodegenerative disorder by inhibiting formation of neurofibrillary (tau) tangles and/or by inhibiting Dyrk 1A. The invention further relates to non-therapeutic uses of these compounds.

  本发明提供了式(I)化合物，其中：Y 代表 C 原子或 N 原子，可被 R″′ 取代或与 R″′ 形成环状基团，但不得是季 C 原子；R′为-OR1、-CONH2、-CF3、F、-OH、-NO2、-CN 或-OCOR1，其中 R1 为 C1-3 烷基，且各可位于β或γ位；R″为 C1-3 烷基或 H；和 R″′ 是 H 或由 1-12 个非氢原子组成的基团，可以是直链、支链和/或包含一个或多个环状基团，环状基团可以是芳香族和/或杂环基团，2 个或多个环状基团可以连接或融合，每个环状基团可以被取代；或式 (I) 化合物的盐、水合物或溶液，用于通过抑制神经纤维（tau）缠结的形成和/或通过抑制 Dyrk 1A 来治疗或预防神经退行性疾病。本发明还涉及这些化合物的非治疗用途。
• THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING
  申请人：Alteon, Inc.

  公开号：EP1248615A1

  公开（公告）日：2002-10-16
• EP1248615A4
  申请人：——

  公开号：EP1248615A4

  公开（公告）日：2004-08-04