2,5-bis-[5-(N-hydroxycarbamimidoyl)-2-pyridyl]furan | 619334-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,5-bis-[5-(N-hydroxycarbamimidoyl)-2-pyridyl]furan
• 英文别名: N'-hydroxy-6-[5-[5-(N'-hydroxycarbamimidoyl)pyridin-2-yl]furan-2-yl]pyridine-3-carboximidamide
• CAS: 619334-64-4
• 化学式: C₁₆H₁₄N₆O₃
• 分子量: 338.326
• InChiKey: KNGZDDMFCPNENL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  156
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents
  申请人：——

  公开号：US20040122015A1

  公开（公告）日：2004-06-24

  A compound of Formula (I): 1 wherein: X is selected from the group consisting of O, S, and NR 17 , where R 17 is hydrogen or lower alkyl; C 1 , C 2 , A, and Y are CH, N, NR 17 , O, or S, wherein C 1 and C 2 are the same or different; D 1 , D 2 , B, and Z are CH, N, or NR 17 wherein D 1 and D 2 are the same or different; provided that B, Z, or both B and Z are not present when A, Y, or both A and Y are O, S, or NR 17 ; R 13 , R 14 , R 15 , R 16 , R 1 and R 8 are selected from the group consisting of H, lower alkyl, halogen, alkoxyl, aryloxyl, aralkoxy and hydroxyl; R 3 and R 6 are each independently selected from the group consisting of H, hydroxy, lower alkyl, cycloalkyl, aryl, aralkyl, alkoxyl, hydroxycycloalkyl, alkoxycycloalkyl, hydroxyalkyl, aminoalkyl, acyloxy, acetoxy, and alkylaminoalkyl; and R 2 , R 4 , R 5 and R 7 are each independently selected from the group consisting of H, lower alkyl, alkoxyalkyl, cycloalkyl, aryl, aralkyl, hydroxyalkyl, aminoalkyl, and alkylaminoalkyl, or R 2 and R 4 together or R 5 and R 7 together represent a C 2 to C 10 alkyl, hydroxyalkyl, or alkylene, or R 3 and R 4 together or R 6 and R 7 together are: 2 wherein n is a number from 1 to 3, and R 9 is H or —CONHR 10 NR 11 R 12 , wherein R 10 is lower alkyl and R 11 and R 12 are each independently selected from the group consisting of H and lower alkyl.

  化合物公式（I）：1其中：X从O，S和NR17组成的群中选择，其中R17是氢或低级烷基；C1，C2，A和Y是CH，N，NR17，O或S，其中C1和C2相同或不同；D1，D2，B和Z是CH，N或NR17，其中D1和D2相同或不同；但是当A，Y或A和Y都是O，S或NR17时，B，Z或B和Z都不存在；R13，R14，R15，R16，R1和R8从H，低级烷基，卤素，烷氧基，芳氧基，芳基烷氧基和羟基中选择；R3和R6各自独立地从H，羟基，低级烷基，环烷基，芳基，芳基烷基，烷氧基，羟基环烷基，烷氧基环烷基，羟基烷基，氨基烷基，酰氧基，乙酰氧基和烷基氨基烷基中选择；R2，R4，R5和R7各自独立地从H，低级烷基，烷氧基烷基，环烷基，芳基，芳基烷基，羟基烷基，氨基烷基和烷基氨基烷基中选择，或者R2和R4一起或R5和R7一起表示C2到C10烷基，羟基烷基或烷基，或者R3和R4一起或R6和R7一起是：2其中n是1到3的数字，R9是H或—CONHR10NR11R12，其中R10是低级烷基，R11和R12各自独立地从H和低级烷基中选择。
• US7256203B2
  申请人：——

  公开号：US7256203B2

  公开（公告）日：2007-08-14