3-[[[2-(6-Naphthalen-2-yloxy-1,3-benzothiazol-2-yl)acetyl]amino]methyl]benzoic acid | 1221923-67-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-[[[2-(6-Naphthalen-2-yloxy-1,3-benzothiazol-2-yl)acetyl]amino]methyl]benzoic acid
• CAS: 1221923-67-6
• 化学式: C₂₇H₂₀N₂O₄S
• 分子量: 468.533
• InChiKey: PUPVHVVIFORKCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE
  申请人：Shionogi & Co., Ltd.

  公开号：US20140288302A1

  公开（公告）日：2014-09-25

  A pharmaceutical composition including a compound of formula (I): its pharmaceutically acceptable salt, or a solvate thereof. Ring A is nitrogen-containing hetero ring, Ring A may be substituted with a substituent other than a group represented by formula: —C(R 1 R 2 )—C(═O)—NR 3 R 4 and a group represented by formula: —R 5 , a broken line represents presence or absence of a bond, Z is —NR 6 —, ═N—, —O—, or —S—, R 6 is halogen or substituted or unsubstituted alkyl, R 1 and R 2 are each independently hydrogen, halogen, hydroxy, cyano, nitro, carboxy or substituted or unsubstituted alkyl, R 3 is hydrogen or substituted or unsubstituted alkyl, R 4 is hydrogen or substituted or unsubstituted alkyl, R 3 and R 4 taken together with the adjacent nitrogen atom to which they are attached may form a substituted or unsubstituted ring, R 5 is hydrogen, halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, or substituted or unsubstituted alkynyl.

  一种包括化合物(I)的制药组合物：其药学上可接受的盐或其溶剂合物。环A是含氮杂环，环A可以用除了公式所表示的基团之外的取代基团取代：—C(R1R2)—C(═O)—NR3R4和公式表示的基团：—R5，其中断线表示键的存在或不存在，Z是—NR6—，═N—，—O—或—S—，R6是卤素或取代或未取代的烷基，R1和R2各自独立地是氢、卤素、羟基、氰基、硝基、羧基或取代或未取代的烷基，R3是氢或取代或未取代的烷基，R4是氢或取代或未取代的烷基，R3和R4与它们所连接的相邻氮原子一起可以形成取代或未取代的环，R5是氢、卤素、羟基、氰基、硝基、羧基、取代或未取代的烷基、取代或未取代的烯基或取代或未取代的炔基。
• ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON VASCULAR ENDOTHELIAL LIPASE
  申请人：Shionogi & Co., Ltd.

  公开号：EP2351744B1

  公开（公告）日：2015-01-07