5-{[(2-methanesulfonyl-ethyl)-methyl-amino]-methyl}-furan-2-carboxylic acid ethyl ester | 865470-84-4

• 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-{[(2-methanesulfonyl-ethyl)-methyl-amino]-methyl}-furan-2-carboxylic acid ethyl ester
• 英文别名: Ethyl 5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-carboxylate
• CAS: 865470-84-4
• 化学式: C₁₂H₁₉NO₅S
• 分子量: 289.353
• InChiKey: LBBCQFSBKNHBII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  85.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲胺 、 甲基乙烯砜 以 四氢呋喃 、 乙腈 为溶剂， 反应 121.0h， 生成 5-{[(2-methanesulfonyl-ethyl)-methyl-amino]-methyl}-furan-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  [EN] PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN
  [FR] COMPOSITION PHARMACEUTIQUE COMPRENANT UN DERIVE DE BENZODIAZEPINE ET UN INHIBITEUR DE LA PROTEINE DE FUSION DU VIRUS RESPIRATOIRE SYNCYTIAL

  摘要：

  一种包含药用可接受载体或稀释剂以及：(a) RSV融合蛋白抑制剂；和(b) 能够抑制RSV复制的苯二氮䓬类衍生物的药物组合物被发现对RSV具有很高的活性。

  公开号：

  WO2005089771A1

文献信息

• Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein
  申请人：Powell Kenneth

  公开号：US20070185096A1

  公开（公告）日：2007-08-09

  A pharmaceutical composition which comprises a pharmaceutically acceptable carrier or diluent and: (a) an inhibitor of the RSV fusion protein; and (b) a benzodiazepine derivative capable of inhibiting RSV replication is found to be highly active against RSV.

  一种制药组合物，包括一种药用可接受载体或稀释剂和：(a)一种RSV融合蛋白的抑制剂；以及(b)一种苯二氮平衍生物，能够抑制RSV复制，发现对RSV具有高度活性。
• Benzodiazepines for Treating or Preventing Rsv Infection
  申请人：Dowdell Verity

  公开号：US20080139536A1

  公开（公告）日：2008-06-12

  Use of a compound which is (a) a benzodiazepine derivative of the formula (I) or an N-oxide thereof or (b) a pharmaceutically acceptable salt thereof, in the manufacture of a medicament for use in treating or preventing an RSV infection wherein: —R 1 represents C 1-6 alkyl, aryl or heteroaryl; —R 2 represents hydrogen or C 1-6 alkyl; each R 3 is the same or different and represents halogen, hydroxy, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkylthio, C 1-6 haloalkyl, C 1-6 haloalkoxy, amino, mono(C 1-6 alkyl)amino, di(C 1-6 alkyl)amino, vitro, cyano, —CO 2 R′, —CONR′R″, —NH—CO—R′, —S(O)R′, —S(O) 2 R′, —NH—S(O) 2 R′, —S(O)NR′R″ or —S(O) 2 NR′R″, wherein each R′ and R″ is the same or different and represents hydrogen or C 1-6 alkyl; n is from O to 3; R 4 represents hydrogen or C 1-6 alkyl; X represents —CO—, —CO—NR′—, —S(O)— or —S(O) 2 —, wherein R′ is hydrogen or a C 1 -C 6 alkyl group; and R 5 represents a heteroaryl or heterocyclyl group which is substituted by a C1C6 hydroxyalkyl group or a —(C 1 -C 4 alkyl)-X 1 —(C 1 -C 4 alkyl)-X 2 —(C 1 -C 4 alkyl} group, wherein X 1 represents -0-, —S— or —NR′—, wherein R′ represents H or a C 1 -C 4 alkyl group and X 2 represents —CO—, —SO— or —SO 2 —, or R 5 represents -A 1 -Y-A 2 , wherein: -A 1 is an aryl, heteroaryl, carbocyclyl or heterocyclyl group; 25 —Y represents a direct bond or a C 1 -C 4 alkylene, —SO 2 —, —CO—, -0-, —S— or —NR′-moiety, wherein R′ is a C 1 -C 6 alkyl group; and -A 2 is an aryl, heteroaryl, carbocyclyl or heterocyclyl group.

  使用化合物（a）式（I）的苯二氮平衍生物或其N-氧化物，或（b）其药学上可接受的盐，制备用于治疗或预防RSV感染的药物，其中：-R1代表C1-6烷基，芳基或杂环芳基；-R2代表氢或C1-6烷基；每个R3相同或不同，代表卤素，羟基，C1-6烷基，C1-6烷氧基，C1-6烷基硫基，C1-6卤代烷基，C1-6卤代烷氧基，氨基，单（C1-6烷基）氨基，二（C1-6烷基）氨基，体外，氰基，-CO2R'，-CONR'R"，-NH-CO-R'，-S（O）R'，-S（O）2R'，-NH-S（O）2R'，-S（O）NR'R"或-S（O）2NR'R"，其中每个R'和R"相同或不同，代表氢或C1-6烷基；n为0至3；R4代表氢或C1-6烷基；X代表-CO-，-CO-NR'-，-S（O）-或-S（O）2-，其中R'代表氢或C1-C6烷基；R5代表被C1C6羟基烷基或-(C1-C4烷基)-X1-(C1-C4烷基)-X2-(C1-C4烷基)基取代的杂环芳基或杂环烷基基团，其中X1代表-0-，-S-或-NR'-，其中R'代表H或C1-C4烷基，X2代表-CO-，-SO-或-SO2-，或R5代表-A1-Y-A2，其中：-A1是芳基，杂环芳基，碳环芳基或杂环烷基基团；-Y代表直接键或C1-C4烷基，-SO2-，-CO-，-0-，-S-或-NR'-基，其中R'是C1-C6烷基基团；-A2是芳基，杂环芳基，碳环芳基或杂环烷基基团。
• PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN
  申请人：Arrow Therapeutics Limited

  公开号：EP1727551A1

  公开（公告）日：2006-12-06
• BENZODIAZEPINES FOR TREATING OR PREVENTING RSV INFECTION
  申请人：Arrow Therapeutics Limited

  公开号：EP1740185A1

  公开（公告）日：2007-01-10
• [EN] BENZODIAZEPINES FOR TREATING OR PREVENTING OR PREVENTING RSV INFECTION<br/>[FR] BENZODIAZEPINES POUR TRAITER OU EMPECHER UNE INFECTION DUE AU VIRUS SYNCYTIAL RESPIRATOIRE
  申请人：ARROW THERAPEUTICS LTD

  公开号：WO2005089770A1

  公开（公告）日：2005-09-29

  Use of a compound which is (a) a benzodiazepine derivative of the formula (I) or an N-oxide thereof or (b) a pharmaceutically acceptable salt thereof, in the manufacture of a medicament for use in treating or preventing an RSV infection wherein: - R1 represents C1-6 alkyl, aryl or heteroaryl; - R2 represents hydrogen or C1-6 alkyl; each R3 is the same or different and represents halogen, hydroxy, C1-6 alkyl, C1-6 alkoxy, C1-6 alkylthio, C1-6 haloalkyl, C1-6 haloalkoxy, amino, mono(C1-6 alkyl)amino, di(C1-6 alkyl)amino, vitro, cyano, -CO2R/, -CONR/ R// , -NH-CO-R/, -S(O)R/, -S(O)2 R/, -NH-S(O)2 R/, -S(O)NR/ R// or -S(O)2NR/ R//, wherein each R/ and R// is the same or different and represents hydrogen or C1-6 alkyl; nisfromOto3; R4 represents hydrogen or C1-6 alkyl; X represents -CO-, -CO-NR/-, -S(O)- or -S(O)2-, wherein R/ is hydrogen or a C1-C6 alkyl group; and R5 represents a heteroaryl or heterocyclyl group which is substituted by a C1­C6 hydroxyalkyl group or a -(C1-C4 alkyl)-X1-(C1-C4 alkyl)-X2-(C1-C4 alkyl} group, wherein X1 represents -0-, -S- or -NR/-, wherein R/ represents H or a C1-C4 alkyl group and X2 represents -CO-, -SO- or -SO2-, or R5 represents -A1-Y-A2, wherein: - A1 is an aryl, heteroaryl, carbocyclyl or heterocyclyl group; 25 - Y represents a direct bond or a C1-C4 alkylene, -SO2-, -CO-, -0-, -S- or -NR/-­moiety, wherein R/ is a C1-C6 alkyl group; and - A2 is an aryl, heteroaryl, carbocyclyl or heterocyclyl group.