Dimethyl 2-[N-(3'-hydroxy-3'-methyl)-n-nonyl]aminoazelate | 68312-65-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Dimethyl 2-[N-(3'-hydroxy-3'-methyl)-n-nonyl]aminoazelate
• 英文别名: Dimethyl 2-[(3-hydroxy-3-methylnonyl)amino]nonanedioate
• CAS: 68312-65-2
• 化学式: C₂₁H₄₁NO₅
• 分子量: 387.56
• InChiKey: GSXYKXHGBCPWPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  27
• 可旋转键数：
  19
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Dimethyl 2-[N-(3'-hydroxy-3'-methyl)-n-nonyl]aminoazelate 、 chloroform methanol 以 二氯甲烷 、 氯仿 、 水 为溶剂， 生成 7-[3-(3-hydroxy-3-methyl-nonyl)-2,5-dioxo-imidazolidin-4-yl]-heptanoic acid methyl ester
  参考文献：
  名称：

  1-(3-Hydroxyalk-1-yl)-5-(carboxyalkyl)hydantoin derivatives

  摘要：

  化合物的化学式（I）##STR1##其中：X为O或S；n为1至8；R.sub.1为氢，或CO.sub.2 R.sub.1代表一个酯基，其中R.sub.1基团含有1-12个碳原子；R.sub.2为氢，C.sub.1-4烷基或苯基；R.sub.3为羟基或受保护的羟基；R.sub.4为氢，C.sub.1-9烷基，C.sub.3-8环烷基，C.sub.3-8环烷基-C.sub.1-6烷基，苯基，苯基-C.sub.1-6烷基，萘基，萘基-C.sub.1-6-烷基，其中苯基或萘基可能被一个或多个卤素，三氟甲基，C.sub.1-6烷基，羟基，C.sub.1-6烷氧基，苯基C.sub.1-6烷氧基或硝基取代；或R.sub.2和R.sub.4与它们连接的碳原子一起代表一个C.sub.5-8环烷基基团；及其盐；具有有用的药理活性。

  公开号：

  US04152445A1

文献信息

• Cyclic diamides, a process for their preparation and their pharmaceutical compositions
  申请人：BEECHAM GROUP PLC

  公开号：EP0008186A1

  公开（公告）日：1980-02-20

  Compounds of the formula (I): characterised in that n is 1 to 5; L is CO2R wherein R is hydrogen or COz2 is an ester group in which R contains from 1 to 12 carbon atoms, or CH2COR, wherein R, is C1-4 alkyl; Y is -CH2CH2-, -CH=CH- or -C≡C-; R2 is hydrogen or C1-4 alkyl; R. is hydrogen or C1-9 alkyl, C3-8 cycloalkyl, C3-8 cycloalkyl-C1-6 alkyl; or R2 and R. taken with the carbon atom to which they are joined represent a C5-8 cycloalkyl group; R5 is NR6R, wherein R6 and R7 independently are hydrogen, C1-4 alkyl, phenyl C1-4 alkyl or NR6R7 is a 3 to 7 membered heterocyclic group containing only one hetero atom; hydrogen, C1-4 alkyl or C1-4 alkyl substituted by an OH, C1-4 alkoxy, CN, halogen or NR6R7 group as defined above, or by one or two CO2A groups in which A is hydrogen or a group containing from 1 to 12 carbon atoms; and R8 and R9 independently are hydrogen, C1-4 alkyl or together with the carbon atom to which they are joined are a C3-6 cycloalkyl group; and salts thereof, having activities similar to but more selective than those of natural prostaglandins, a process for their preparation and pharmaceutical compositions containing them.

  式(I)化合物： 其特征在于 n 为 1 至 5； L 是 CO2R，其中 R 是氢或 COz2 是酯基，其中 R 含 1 至 12 个碳原子，或 CH2COR，其中 R 是 C1-4 烷基； Y是-CH2CH2-、-CH=CH-或-C≡C-； R2 是氢或 C1-4 烷基； R. 是氢或 C1-9 烷基、C3-8 环烷基、C3-8 环烷基-C1-6 烷基；或 R2 和 R. 与它们连接的碳原子一起代表 C5-8 环烷基； R5为NR6R，其中R6和R7各自为氢、C1-4烷基、苯基C1-4烷基或NR6R7为仅含一个杂原子的3至7位杂环基团；氢、C1-4烷基或被OH、C1-4烷氧基、CN、卤素或上述定义的NR6R7基团取代的C1-4烷基，或被一个或两个CO2A基团取代的C1-4烷基，其中A为氢或含1至12个碳原子的基团；R8和R9分别为氢、C1-4烷基或与它们连接的碳原子一起为C3-6环烷基；以及它们的盐，其活性类似于天然前列腺素，但比天然前列腺素更有选择性，它们的制备方法和含有它们的药物组合物。
• WOOTTON, G.
  作者：WOOTTON, G.

  DOI：——

  日期：——
• US4152445A
  申请人：——

  公开号：US4152445A

  公开（公告）日：1979-05-01
• 1-(3-Hydroxyalk-1-yl)-5-(carboxyalkyl)hydantoin derivatives
  申请人：Beecham Group Limited

  公开号：US04152445A1

  公开（公告）日：1979-05-01

  A compound of formula (I) ##STR1## wherein: X is O or S; n is 1 to 8; R.sub.1 is hydrogen, or CO.sub.2 R.sub.1 represents an ester group in which the R.sub.1 moiety contains from 1-12 carbon atoms; R.sub.2 is hydrogen, C.sub.1-4 alkyl, or phenyl; R.sub.3 is hydroxy or protected hydroxy; R.sub.4 is hydrogen, C.sub.1-9 alkyl, C.sub.3-8 cycloalkyl, C.sub.3-8 cycloalkyl-C.sub.1-6 alkyl, phenyl, phenyl C.sub.1-6 alkyl, naphthyl, naphthyl-C.sub.1-6 -alkyl, any of which phenyl or naphthyl moieties may be substituted by one or more halogen, trifluoromethyl, C.sub.1-6 alkyl, hydroxy, C.sub.1-6 alkoxy, phenyl C.sub.1-6 alkoxy or nitro groups; or R.sub.2 and R.sub.4 taken with the carbon atom to which they are joined represent a C.sub.5-8 cycloalkyl group; and salts thereof; has useful pharmacological activity.

  化合物的化学式（I）##STR1##其中：X为O或S；n为1至8；R.sub.1为氢，或CO.sub.2 R.sub.1代表一个酯基，其中R.sub.1基团含有1-12个碳原子；R.sub.2为氢，C.sub.1-4烷基或苯基；R.sub.3为羟基或受保护的羟基；R.sub.4为氢，C.sub.1-9烷基，C.sub.3-8环烷基，C.sub.3-8环烷基-C.sub.1-6烷基，苯基，苯基-C.sub.1-6烷基，萘基，萘基-C.sub.1-6-烷基，其中苯基或萘基可能被一个或多个卤素，三氟甲基，C.sub.1-6烷基，羟基，C.sub.1-6烷氧基，苯基C.sub.1-6烷氧基或硝基取代；或R.sub.2和R.sub.4与它们连接的碳原子一起代表一个C.sub.5-8环烷基基团；及其盐；具有有用的药理活性。