N-(1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)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: N-(1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
• 化学式: C₁₆H₁₄N₂O₂S
• 分子量: 298.4
• InChiKey: HRKSMBHHTBDKGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  79.5
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• [EN] WNT PATHWAY MODULATORS<br/>[FR] MODULATEURS DE LA VOIE WNT
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2014175832A1

  公开（公告）日：2014-10-30

  The invention provides a compound of structure Ar1-Ar2-X-C(R1R2)-C(=O)-N(R3)-Ar3-Ar4 for modulating WNT activity. In this structure, Ar1, Ar2, Ar3 and Ar4 are, independently, optionally substituted aryl or heteroaryl groups; R1 and R3 are, independently, H or optionally substituted alkyl groups; R2 is H or an optionally substituted alkyl group or an alkylene group which, together with the carbon atom to which it is attached and X, forms a non-aromatic ring or an alkylene group which, together with the carbon atom to which it is attached and X and two adjacent atoms of Ar2, forms a non-aromatic ring; X is O, CR4R5, N or NR4, wherein if X is N, it is bonded to R2; R4 is H, optionally substituted alkyl or an alkylene chain, optionally containing a heteroatom and/or a carbonyl group, which, together with the C or N to which it is attached and two adjacent atoms of Ar2, forms a non-aromatic ring; R5 is H, NH2 or an optionally substituted alkyl group.

  该发明提供了一种结构为Ar1-Ar2-X-C(R1R2)-C(=O)-N(R3)-Ar3-Ar4的化合物，用于调节WNT活性。在这种结构中，Ar1、Ar2、Ar3和Ar4分别是可选择取代的芳基或杂环芳基；R1和R3分别是H或可选择取代的烷基；R2是H或可选择取代的烷基或与其连接的碳原子和X形成非芳香环的烷基，或者与其连接的碳原子、X和Ar2的两个相邻原子形成非芳香环的烷基；X是O、CR4R5、N或NR4，如果X是N，则与R2相结合；R4是H、可选择取代的烷基或含有杂原子和/或羰基的烷基链，与其连接的C或N以及Ar2的两个相邻原子形成非芳香环；R5是H、NH2或可选择取代的烷基。