4-[(6-Aminopyridin-3-yl)oxy]benzonitrile | 672945-88-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[(6-Aminopyridin-3-yl)oxy]benzonitrile
• 英文别名: 4-(6-aminopyridin-3-yl)oxybenzonitrile
• CAS: 672945-88-9
• 化学式: C₁₂H₉N₃O
• mdl: MFCD11135792
• 分子量: 211.22
• InChiKey: VKMBNLPFGSEIQJ-UHFFFAOYSA-N

物化性质

• 沸点：
  412.0±40.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.9
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Non-nucleoside reverse transcriptase inhibitors
  申请人：Antonov Dmitry

  公开号：US20060167055A1

  公开（公告）日：2006-07-27

  A compound of the formula (Y): where; R 1 is O, S; R 2 is a nitrogen-containing heterocycle; R 3 is H, C 1 -C 3 alkyl; X is —(C 8 R 8 ) n -D-(C 8 C 8 ′) m —; D is a bond, —NR 9 —, —O—, —S—, —S(═O)— or —S(═O) 2 ; n and m are independently 0, 1 or 2, R 8 and R 8 ′ are independently H, C 1 -C 3 alkyl, haloC 1 -C 3 alkyl, hydroxy, or R 8 and R 8 ′ together with their adjacent C atom is —C(═O)—; R 9 is independently H, C 1 -C 3 alkyl; E is CH 2 —, —CHOH—, —C(═O)—, —NR 9 —, —O—, —S—, —S(═O) 2 —; n and m are independently 0, 1 or 2; p and q are independently 0, 1 or 2, where p+q≦2; R 10 is an optionally substituted carbocycle or heterocycle; R 11 is independently H, C 1 -C 3 alkyl, halo substituted C 1 -C 3 alkyl, hydroxy; have utility as HIV antivirals.

  化合物的公式为(Y)：其中；R1是O，S；R2是含氮杂环；R3是H，C1-C3烷基；X是—(C8R8)n-D-(C8C8′)m—；D是键，—NR9—，—O—，—S—，—S(═O)—或—S(═O)2；n和m独立为0，1或2，R8和R8′独立为H，C1-C3烷基，卤代C1-C3烷基，羟基，或R8和R8′与其相邻的C原子一起为—C(═O)—；R9独立为H，C1-C3烷基；E是CH2—，—CHOH—，—C(═O)—，—NR9—，—O—，—S—，—S(═O)2—；n和m独立为0，1或2；p和q独立为0，1或2，其中p+q≦2；R10是可选取代的碳环或杂环；R11独立为H，C1-C3烷基，卤代C1-C3烷基，羟基；具有作为HIV抗病毒药物的用途。
• NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS
  申请人：MEDIVIR AB

  公开号：EP1534276A2

  公开（公告）日：2005-06-01
• US7517992B2
  申请人：——

  公开号：US7517992B2

  公开（公告）日：2009-04-14
• [EN] NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS<br/>[FR] INHIBITEURS DE LA TRANSCRIPTASE INVERSE NON NUCLEOSIDIQUES
  申请人：MEDIVIR AB

  公开号：WO2004021969A2

  公开（公告）日：2004-03-18

  A compound of the formula (Y): where; R1 is O, S; R2 is a nitrogen-containing heterocycle; R3 is H, Cl-C3 alkyl; X is -(CR8R8')n-D-(CR8R8')m-; D is a bond, -NR9-, -O-, -S-, -S(=O)- or -S(=O)2-; n and m are independently 0, 1 or 2, R8 and R8' are independently H, C1-C3 alkyl, haloC1-C3alkyl, hydroxy, or R8 and R8' together with their adjacent C atom is -C(=O)-; R9 is independently H, C1-C3 alkyl; E is CH2-, -CHOH-, -C(=O)-, -NR9-, -O-, -S-, -S(=O)2-; n and m are independently 0, 1 or 2; p and q are independently 0, 1 or 2, where p+q ≤ 2; R10 is an optionally substituted carbocycle or heterocycle; R11 is independently H, C1-C3 alkyl, halo substituted Cl-C3alkyl, hydroxy; have utility as HIV antivirals.