3-[6-(2,4-Diamino-pyrimidin-5-ylmethyl)-8-ethoxy-2,2-dimethyl-2H-chromen-4-yl]-prop-2-yn-1-ol | 371975-29-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-[6-(2,4-Diamino-pyrimidin-5-ylmethyl)-8-ethoxy-2,2-dimethyl-2H-chromen-4-yl]-prop-2-yn-1-ol
• 英文别名: 3-[6-[(2,4-Diaminopyrimidin-5-yl)methyl]-8-ethoxy-2,2-dimethylchromen-4-yl]prop-2-yn-1-ol
• CAS: 371975-29-0
• 化学式: C₂₁H₂₄N₄O₃
• 分子量: 380.447
• InChiKey: LNASUJDZHAUORD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  117
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  NH3=19/1/0.05 、 8-ethoxy-4-(3-hydroxy-prop-1-ynyl)-2,2-dimethyl-2H-chromene-6-carbaldehyde 、 2-[8-ethoxy-4-(3-hydroxy-prop-1-ynyl)-2,2-dimethyl-2H-chromen-6-ylmethyl]-3-phenyl-amino-acrylonitrile 、 Guanidine hydrochloride 、 3-(苯氨基)丙腈 生成 3-[6-(2,4-Diamino-pyrimidin-5-ylmethyl)-8-ethoxy-2,2-dimethyl-2H-chromen-4-yl]-prop-2-yn-1-ol
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Chromenylmethyl pyrimidinediamines as antibacterial agents
  申请人：——

  公开号：US20030144246A1

  公开（公告）日：2003-07-31

  This invention is concerned with substituted chromene derivatives of the general formula (I) in which R 1 represents alkyl or cycloalkylalkyl, R 2 and R 3 each independently represent alkyl or cycloalkyl or taken together with the adjacent carbon atom represent a saturated 3- to 6-membered carbocyclic or heterocyclic ring, the alkyl, cycloalkyl, carbocyclic or heterocyclic ring being unsubstituted or substituted, and R 4 represents hydrogen, halogen cyano, alkyl, alkylthio, alkenyl, alkynyl, hydroxyalkyl, hydroxyalkynyl, alkoxyalkyl, alkoxyalkynyl, trialkylsilyl, aryl or heteroaryl, and pharmaceutically acceptable acid addition salts of these compounds, their 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）的取代的咔咯喹啉衍生物，其中R1代表烷基或环烷基烷基，R2和R3分别独立地代表烷基或环烷基，或与相邻碳原子一起代表饱和的3-至6-成员碳环或杂环，所述烷基、环烷基、碳环或杂环可以是未取代的或取代的，R4代表氢、卤素、氰基、烷基、烷基硫基、烯基、炔基、羟基烷基、羟基炔基、烷氧基烷基、烷氧基炔基、三烷基硅基、芳基或杂环基，以及这些化合物的药学可接受的酸盐，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使用；它们的生产；这些物质作为药物的用途以及用于生产抗菌活性药物；以及通式（I）的化合物及其药学可接受的酸盐和用于其制备的中间体的制造。
• CHROMENYLMETHYLPYRIMIDINEDIAMINES AS ANTIBACTERIAL AGENTS
  申请人：Basilea Pharmaceutica AG

  公开号：EP1278742A1

  公开（公告）日：2003-01-29
• US6818649B2
  申请人：——

  公开号：US6818649B2

  公开（公告）日：2004-11-16
• [EN] CHROMENYLMETHYL PYRIMIDINEDIAMINES AS ANTIBACTERIAL AGENTS<br/>[FR] CHROMENYLMETHYL PYRIMIDINEAMINES COMME AGENTS ANTIBACTERIENS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2001083476A1

  公开（公告）日：2001-11-08

  This invention is concerned with substituted chromene derivatives of the general formula (I) in which R1 represents alkyl or cycloalkylalkyl, R?2 and R3¿ each independently represent alkyl or cycloalkyl or taken together with the adjacent carbon atom represent a saturated 3- to 6- membered carbocyclic or heterocyclic ring, the alkyl, cycloalkyl, carbocyclic or heterocyclic ring being unsubstituted or substituted, and R4 represents hydrogen, halogen cyano, alkyl, alkylthio, alkenyl, alkynyl, hydroxyalkyl, hydroxyalkynyl, alkoxyalkyl, alkoxyalkynyl, trialkylsilyl, aryl or heteroaryl, and pharmaceutically acceptable acid addition salts of these compounds, their 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.