2-methyl-2-(((10-methyl-10H-thieno(3,2-a)carbazol-2-yl)methyl)amino)-1,3-propanediol methanesulfonate | 137761-72-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-methyl-2-(((10-methyl-10H-thieno(3,2-a)carbazol-2-yl)methyl)amino)-1,3-propanediol methanesulfonate
• 英文别名: Methanesulfonic acid;2-methyl-2-[(10-methylthieno[3,2-a]carbazol-2-yl)methylamino]propane-1,3-diol
• CAS: 137761-72-9
• 化学式: CH₄O₃S*C₂₀H₂₂N₂O₂S
• 分子量: 450.58
• InChiKey: GUCMNZDPVCHKQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.88
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  148
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0447703A1

  公开（公告）日：1991-09-25

  Heterotetracyclic aromatic compounds having biocidal activity containing two hetero atoms selected from oxygen, sulphur and nitrogen and that are substituted by an aminoalkanol group of formula         ArCH₂NHR or a monomethyl or monoethyl ether thereof, the compound of formula (I) including these ethers containing no more than 29 carbon atoms in total, or an ester or a salt thereof; wherein Ar is a fused tetracyclic hetero aromatic ring system of the formula: in which Z is oxygen, sulphur or a group NR¹ wherein R¹ is hydrogen, methyl or ethyl and is a bicyclic aromatic ring system comprising a phenyl ring and a 5-membered ring system which contains one heteroatom Z¹ selected from oxygen, sulphur or a group NR² wherein R² is hydrogen, methyl or ethyl; the tetracyclic ring system being optionally substituted by one or two substituents; and R contains not more than eight carbon atoms and is a group wherein m is 0 or 1; R⁶ is hydrogen or alkyl optionally substituted by hydroxy; R⁷ and R⁸ are the same or different and each is hydrogen or alkyl; R⁹ is hydrogen, methyl or hydroxymethyl; is a five-or six-membered saturated carbocyclic ring; R¹⁰, R¹¹ and R¹² are the same or different and each is hydrogen or methyl; R¹³ is hydrogen, methyl, hydroxy, or hydroxymethyl; R¹⁴ is hydrogen, methyl, hydroxy or hydroxymethyl. Processes for preparing the compounds, intermediates in their preparation, pharmaceutical compositions containing them and their use in medicine are also disclosed.

  具有生物杀灭活性的杂四元芳香化合物，含有两个选自氧、硫和氮的杂原子，并被氨基醇基团取代，其通式为ArCH₂NHR或其单甲基或单乙基醚，化合物通式(I)包括这些醚，总碳原子数不超过29个，或其酯或盐；其中Ar是一个融合的四元杂芳香环系统，其通式为：其中Z是氧、硫或NR¹基团，R¹是氢、甲基或乙基，是一个包含苯环和含有一个杂原子Z¹的5元环系统的双环芳香环系统，Z¹选自氧、硫或NR²基团，R²是氢、甲基或乙基；四元环系统可选择性地被一个或两个取代基取代；R包含不超过八个碳原子，是一个基团，其中m是0或1；R⁶是氢或可选择性地被羟基取代的烷基；R⁷和R⁸相同或不同，每个是氢或烷基；R⁹是氢、甲基或羟甲基；是一个五元或六元饱和碳环；R¹⁰、R¹¹和R¹²相同或不同，每个是氢或甲基；R¹³是氢、甲基、羟基或羟甲基；R¹⁴是氢、甲基、羟基或羟甲基。还公开了制备这些化合物的方法、制备过程中的中间体、含有它们的药物组合物以及它们在医学中的应用。