5-(4-fluorobenzyl)-furan-2-carboxylic acid pyridin-2-ylthio ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: 5-(4-fluorobenzyl)-furan-2-carboxylic acid pyridin-2-ylthio ester
• 英文别名: 5-(4-fluorobenzyl)-furan-2-carboxylic acid 2-pyridylthio ester；Pyridin-2-ylsulfanyl 5-[(4-fluorophenyl)methyl]furan-2-carboxylate
• 化学式: C₁₇H₁₂FNO₃S
• 分子量: 329.352
• InChiKey: KYMSIPLJMRWYPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  77.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-(4-fluorobenzyl)-furan-2-carboxylic acid 在 三苯基膦 作用下， 以77%的产率得到5-(4-fluorobenzyl)-furan-2-carboxylic acid pyridin-2-ylthio ester
  参考文献：
  名称：

  Medicinal compositions containing propenone derivatives

  摘要：

  一种将整合抑制剂与抗逆转录病毒活性物质组合使用的医药组合物被发现，该组合物以其作为活性成分。

  公开号：

  US20030171406A1

文献信息

• Aromatic heterocycle compounds having HIV integrase inhibiting activities
  申请人：Shionogi & Co., Ltd.

  公开号：US06620841B1

  公开（公告）日：2003-09-16

  A compound of the formula (I): wherein X is hydroxy, protected hydroxy or optionally substituted amino; Y is —COORA wherein RA is hydrogen or ester residue, —CONRBRC wherein RB and RC each is independently hydrogen or amide residue, optionally substituted aryl or optionally substituted heteroaryl; and A1 is optionally substituted heteroaryl; provided that a compound wherein Y and/or A1 is optionally substituted indol-3-yl is excluded, a tautomer, a prodrug, a pharmaceutically acceptable salt or a hydrate thereof has an inhibitory activity against an integrase.

  公式（I）的化合物：其中X是羟基，保护羟基或可选择取代的氨基；Y是—COORA，其中RA是氢或酯基，—CONRBRC，其中RB和RC分别独立地是氢或酰胺基，可选择取代的芳基或可选择取代的杂环芳基；而A1是可选择取代的杂环芳基；前提是化合物中Y和/或A1为可选择取代的吲哚-3-基团的化合物被排除在外，其互变体、前药、药学上可接受的盐或水合物对整合酶具有抑制活性。
• Heteroaromatic derivatives having an inhibitory activity against HIV integrase
  申请人：——

  公开号：US20040002485A1

  公开（公告）日：2004-01-01

  A compound of the formula (I): 1 wherein X is hydroxy, protected hydroxy or optionally substituted amino; Y is —COOR A wherein R A is hydrogen or ester residue, —CONR B R C wherein R B and R C each is independently hydrogen or amide residue, optionally substituted aryl or optionally substituted heteroaryl; and A 1 is optionally substituted heteroaryl; provided that a compound wherein Y and/or A 1 is optionally substituted indol-3-yl is excluded, a tautomer, a prodrug, a pharmaceutically acceptable salt or a hydrate thereof has an inhibitory activity against an integrase.

  式(I)的化合物：其中X为羟基，保护羟基或可选取代的氨基；Y为—COORA，其中RA为氢或酯基残基，—CONRBRC，其中RB和RC各自独立地为氢或酰胺基残基，可选取代的芳基或可选取代的杂芳基；且A1为可选取代的杂芳基；但其中Y和/或A1为可选取代的吲哚-3-基的化合物被排除，其互变异构体、前药、药物可接受的盐或水合物具有对整合酶的抑制活性。
• Inhibitor for enzyme having two divalent metal ions as active centers
  申请人：——

  公开号：US20040039060A1

  公开（公告）日：2004-02-26

  A pharmaceutical composition for use as an inhibitor of an enzyme having two divalent metal ions as an active center was found. It is possible to inhibit the activity of an enzyme by a compound capable of chelating both of the two divalent metal ions.

  发现了一种用作酶抑制剂的药物组合物，该酶具有两个二价金属离子作为活性中心。能够通过一种化合物来螯合这两个二价金属离子，从而抑制酶活性。
• Inhibitor for enzyme having two divalent metal ions as active center
  申请人：Kiyama Ryuichi

  公开号：US20100068695A1

  公开（公告）日：2010-03-18

  A pharmaceutical composition for use as an inhibitor of an enzyme having two divalent metal ions as an active center was found. It is possible to inhibit the activity of an enzyme by a compound capable of chelating both of the two divalent metal ions.

  发现了一种用作酶抑制剂的药物组合物，该酶具有两个二价金属离子作为活性中心。通过化合物能够螯合这两个二价金属离子中的任意一个或两个，从而抑制酶的活性。
• AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1142872A1

  公开（公告）日：2001-10-10

  A compound of the formula (I): wherein X is hydroxy, protected hydroxy or optionally substituted amino; Y is COORA wherein RA is hydrogen or ester residue, -CONRBRC wherein RB and RC each is independently hydrogen or amide residue, optionally substituted aryl or optionally substituted heteroaryl; and A1 is optionally substituted heteroaryl; provided that a compound wherein Y and/or A1 is optionally substituted indol-3-yl is excluded, a tautomer, a prodrug, a pharmaceutically acceptable salt or a hydrate thereof has an inhibitory activity against an integrase.

  一种式（I）化合物： 其中 X 是羟基、受保护的羟基或任选取代的氨基；Y 是 COORA（其中 RA 是氢或酯残基）、-CONRBRC（其中 RB 和 RC 各自独立地是氢或酰胺残基）、任选取代的芳基或任选取代的杂芳基；以及 A1 是任选取代的杂芳基；条件是其中 Y 和/或 A1 是任选取代的吲哚-3-基的化合物除外，其同分异构体、原药、药学上可接受的盐或水合物对整合酶具有抑制活性。