(4-Hydroxy-phenyl)-[1-(4-hydroxy-phenyl)-1,3,4,9-tetrahydro-β-carbolin-2-yl]-methanone

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: (4-Hydroxy-phenyl)-[1-(4-hydroxy-phenyl)-1,3,4,9-tetrahydro-β-carbolin-2-yl]-methanone
• 英文别名: 2,3,4,9-Tetrahydro beta-carboline 17；(4-hydroxyphenyl)-[1-(4-hydroxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
• 化学式: C₂₄H₂₀N₂O₃
• 分子量: 384.434
• InChiKey: HJJOEFXQLUXTPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  76.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol 、 对羟基苯甲酸 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (4-Hydroxy-phenyl)-[1-(4-hydroxy-phenyl)-1,3,4,9-tetrahydro-β-carbolin-2-yl]-methanone
  参考文献：
  名称：

  Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents

  摘要：

  An SAR study of a screening lead has led to the identification of 2,9-disubstituted 1, 2, 3, 4-tetrahydropyrido [3,4-b]indoles as inhibitors of Staphylococcus aureus enoyl acyl carrier protein reductase (FabI). (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00405-x

文献信息

• Antibacterial compounds
  申请人：——

  公开号：US20040053954A1

  公开（公告）日：2004-03-18

  Compounds of the formula (I) are disclosed and are useful in the treatment bacterial infections: 1 wherein: R 1 is Ar or Het; R 2 is C 1-6 alkyl, (R″) 2 N-(CH 2 ) m — or Ar—C 0-6 alkyl; X is H, C 1-4 alkyl, OR′, SR′, C 1-4 alkylsulfonyl, C 1-4 alkylsulfoxyl, CN, N(R′) 2 , CH 2 N(R′) 2 , NO 2 , CF 3 , CO 2 R′, CON(R′) 2 , COR′, NR′C(O)R′, F, Cl, Br, I, or CF 3 S(O) r —; R′ is H, C 1-6 alkyl or Ar—C 0-6 alkyl; each R″ independently is H, C 1-6 alkyl or Ar—C 0-6 alkyl; m is 1 or 2; n is 0, 1 or 2; and r is 0, 1 or 2; or a pharmaceutically acceptable salt thereof.

  化合物的结构公式（I）已经公开，并且在治疗细菌感染方面具有用处：其中：R1为Ar或Het；R2为C1-6烷基，（R″）2N-（CH2）m—或Ar—C0-6烷基；X为H，C1-4烷基，OR′，SR′，C1-4烷基磺酰基，C1-4烷基氧基，CN，N（R′）2，CH2N（R′）2，NO2，CF3，CO2R′，CON（R′）2，COR′，NR′C（O）R′，F，Cl，Br，I或CF3S（O）r—；R′为H，C1-6烷基或Ar—C0-6烷基；每个R″独立地为H，C1-6烷基或Ar—C0-6烷基；m为1或2；n为0，1或2；而r为0，1或2；或其药用盐。
• EP1347759A4
  申请人：——

  公开号：EP1347759A4

  公开（公告）日：2004-04-21
• ANTIBACTERIAL COMPOUNDS
  申请人：SmithKline Beecham Corporation

  公开号：EP1347759A1

  公开（公告）日：2003-10-01
• US6987115B2
  申请人：——

  公开号：US6987115B2

  公开（公告）日：2006-01-17
• [EN] ANTIBACTERIAL COMPOUNDS<br/>[FR] COMPOSES ANTIBACTERIENS
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2002062339A1

  公开（公告）日：2002-08-15

  Compounds of the formula (I) are disclosed and are useful in the treatment bacterial infections: wherein: R1 is Ar or Het;R2 is C¿1-6?alkyl, (R')2N-(CH2)m- or Ar-C0-6alkyl; X is H, C1-4alkyl, OR', SR', C1-4alkylsulfonyl, C1-4alkylsulfoxyl, CN, N(R')2, CH2N(R')2, NO2, CF3, CO2R', CON(R')2, COR', NR'C(O)R', F, Cl, Br, I, or CF3S(O)r-; R' is H, C1-6alkyl or Ar-C0-6alkyl; each R' independently is H, C1-6alkyl or Ar -C0-6alkyl; m is 1 or 2; n is 0, 1 or 2; and r is 0, 1 or 2; or a pharmaceutically acceptable salt thereof.