3-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-5-methylisoxazole-4-carboxylic acid | 1370419-01-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 3-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-5-methylisoxazole-4-carboxylic acid
• 英文别名: 3-(2,3-Dihydro-1,4-benzodioxin-5-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
• CAS: 1370419-01-4
• 化学式: C₁₃H₁₁NO₅
• 分子量: 261.234
• InChiKey: XSHCGMYQQKIJTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  81.8
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS
  申请人：Cianci Christopher W.

  公开号：US20120245176A1

  公开（公告）日：2012-09-27

  A compound of Formula I is set forth, including pharmaceutically acceptable salts thereof: wherein Het is a 5 or 6-membered heterocycle with —N, —O, or —S adjacent to the —Ar substituent or adjacent to the point of attachment for the —Ar substituent; Ar is aryl or heteroaryl; R is —CH 3 , —CH 2 F, —CHF 2 or —CH═CH 2 ; V is —H, —CH 3 or ═O; W is —NO 2 , —Cl, —Br, —CH 2 OH, or —CN; X is —Cl, —Br, —F, —CH 3 , —OCH 3 , or —CN; Y is —CH or —N; and Z is —CH or —N. This compound is useful in compositions for the prevention and treatment of influenza virus.

  本发明涉及一种I式化合物，包括其药学上可接受的盐：其中，Het是一种5或6元杂环，其中- N，-O或-S与-Ar取代基相邻或与-Ar取代基的连接点相邻；Ar是芳基或杂芳基；R是-CH3，-CH2F，-CHF2或-CH═CH2；V是-H，- 或═O；W是-NO2，-Cl，-Br，- OH或-CN；X是-Cl，-Br，-F，- ，-O 或-CN；Y是-CH或-N；以及Z是-CH或-N。该化合物在预防和治疗流感病毒的组合物中有用。
• [EN] NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS<br/>[FR] NOUVEAUX ANALOGUES DE LA PIPÉRAZINE COMPORTANT DES GROUPES HÉTÉROARYLE SUBSTITUÉS UTILISÉS COMME ANTIVIRAUX À LARGE SPECTRE PROTÉGEANT DE LA GRIPPE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012044531A1

  公开（公告）日：2012-04-05

  A compound of the following Formula (I) is set forth, including pharmaceutically acceptable salts thereof: wherein Het is a 5 or 6-membered heterocycle with -N, -O, or -S adjacent to the -Ar substituent or adjacent to the point of attachment for the -Ar substituent; Ar is aryl or heteroaryl; R is -CH3, -CH2F, -CHF2 or -CH=CH2; V is -H, -CH3 or =0; W is -NO2, -CI, -Br, -CH2OH, or -CN; X is -CI, -Br, -F, -CH3, -OCH3, or -CN; Y is -CH or -N; and Z is -CH or -N. This compound is useful in compositions for the prevention and treatment of influenza virus.