5-[1-Ethyl-4-methoxy-3-(3-methoxy-phenyl)-1H-indol-6-ylmethyl]-pyrimidine-2,4-diamine | 372100-64-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5-[1-Ethyl-4-methoxy-3-(3-methoxy-phenyl)-1H-indol-6-ylmethyl]-pyrimidine-2,4-diamine
• 英文别名: 5-[[1-Ethyl-4-methoxy-3-(3-methoxyphenyl)indol-6-yl]methyl]pyrimidine-2,4-diamine
• CAS: 372100-64-6
• 化学式: C₂₃H₂₅N₅O₂
• 分子量: 403.484
• InChiKey: MCNHFDIFHZPUQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-(2,4-diamino-pyrimidin-5-ylmethyl)-1-ethyl-3-(3-methoxy-phenyl)-1H-indol-4-ol 、 碘甲烷 以35 mg (34%)的产率得到5-[1-Ethyl-4-methoxy-3-(3-methoxy-phenyl)-1H-indol-6-ylmethyl]-pyrimidine-2,4-diamine
  参考文献：
  名称：

  Pyrimidinyl methyl indole derivatives with antibacterial activity

  摘要：

  这项发明涉及通式（I）的吲哚衍生物，其中R1是烷基，烯基，炔基，环烷基，环烷基烷基，烷基磺酰基，环烷基磺酰基，环烷基烷基磺酰基，二烷基磺酰胺基，N-环烷基-N-烷基磺酰胺基，杂环烷基烷基或苯基烷基；R2是氢，卤素，烷基，醇酰基，苯基，苯基烷基或杂环烷基烷基；R3是氢，烷基；以及R4是烷基，烯基，炔基，环烷基，环烷基烷基，烷基磺酰基，环烷基磺酰基，环烷基烷基磺酰基，二烷基磺酰胺基，N-环烷基-N-烷基磺酰胺基，杂环烷基烷基或苯基烷基；以及这些化合物的药学上可接受的酸盐，它们作为治疗活性物质的用途；基于这些物质的药物，可选地与磺胺类药物结合，以及它们的生产；这些物质作为药物以及用于生产抗菌活性药物的用途；以及通式（I）化合物及其药学上可接受的酸盐的制造，以及用于其制造的中间体。

  公开号：

  US20030119857A1

文献信息

• PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY
  申请人：Basilea Pharmaceutica AG

  公开号：EP1280796A1

  公开（公告）日：2003-02-05
• US6703397B2
  申请人：——

  公开号：US6703397B2

  公开（公告）日：2004-03-09
• [EN] PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY<br/>[FR] DERIVES DE PYRIMIDINYL METHYL INDOLE A ACTIVITE ANTIBACTERIENNE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2001083474A1

  公开（公告）日：2001-11-08

  This invention relates to indole derivatives of the general formula (I) wherein R1 is alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl, alkylsulfonyl, cycloalkylsulfonyl, cycloalkylalkylsulfonyl, dialkylsulfamoyl, N-cycloalkyl-N-alkylsulfamoyl, heterocyclylalkyl or phenylalkyl; R2 is hydrogen, halogen, alkyl, alkanoyl, phenyl, phenylalkyl or heterocyclylalkyl; R3 is hydrogen, alkyl; and R4 is alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl, alkylsulfonyl, cycloalkylsulfonyl, cycloalkylalkylsulfonyl, dialkylsulfamoyl, N-cycloalkyl-N-alkylsulfamoyl, heterocyclylalkyl, or phenylalkyl; and pharmaceutically acceptable acid addition salts of these compounds, there use as therapeutically active substances; medicaments based on these substances, optionally in combination with sulphonamides, and their production; the use of these substances as medicaments and for the production of antibacterially-active medicaments; as well as the manufacture of the compounds of formula (I) and their pharmaceutically acceptable acid addition salts and intermediates for their manufacture.
• Pyrimidinyl methyl indole derivatives with antibacterial activity
  申请人：——

  公开号：US20030119857A1

  公开（公告）日：2003-06-26

  This invention relates to indole derivatives of the general formula (I) wherein R 1 is alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl, alkylsulfonyl, cycloalkylsulfonyl, cycloalkylalkylsulfonyl, dialkylsulfamoyl, N-cycloalkyl-N-alkylsulfamoyl, heterocyclylalkyl or phenylalkyl; R 2 is hydrogen, halogen, alkyl, alkanoyl, phenyl, phenylalkyl or heterocyclylalkyl; R 3 is hydrogen, alkyl; and R 4 is alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl, alkylsulfonyl, cycloalkylsulfonyl, cycloalkylalkylsulfonyl, dialkylsulfamoyl, N-cycloalkyl-N-alkylsulfamoyl, heterocyclylalkyl, or phenylalkyl; and pharmaceutically acceptable acid addition salts of these compounds, there use as therapeutically active substances; medicaments based on these substances, optionally in combination with sulphonamides, and their production; the use of these substances as medicaments and for the production of antibacterially-active medicaments; as well as the manufacture of the compounds of formula (I) and their pharmaceutically acceptable acid addition salts and intermediates for their manufacture.

  这项发明涉及通式（I）的吲哚衍生物，其中R1是烷基，烯基，炔基，环烷基，环烷基烷基，烷基磺酰基，环烷基磺酰基，环烷基烷基磺酰基，二烷基磺酰胺基，N-环烷基-N-烷基磺酰胺基，杂环烷基烷基或苯基烷基；R2是氢，卤素，烷基，醇酰基，苯基，苯基烷基或杂环烷基烷基；R3是氢，烷基；以及R4是烷基，烯基，炔基，环烷基，环烷基烷基，烷基磺酰基，环烷基磺酰基，环烷基烷基磺酰基，二烷基磺酰胺基，N-环烷基-N-烷基磺酰胺基，杂环烷基烷基或苯基烷基；以及这些化合物的药学上可接受的酸盐，它们作为治疗活性物质的用途；基于这些物质的药物，可选地与磺胺类药物结合，以及它们的生产；这些物质作为药物以及用于生产抗菌活性药物的用途；以及通式（I）化合物及其药学上可接受的酸盐的制造，以及用于其制造的中间体。