2-Tetradecyl-3-hydroxy-4-amino-tetrahydrofuran | 2433-90-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 英文名称: 2-Tetradecyl-3-hydroxy-4-amino-tetrahydrofuran
• 英文别名: 4-amino-3-hydroxy-2-tetradecyltetrahydrofuran；4-Amino-2-tetradecyloxolan-3-ol
• CAS: 2433-90-1
• 化学式: C₁₈H₃₇NO₂
• 分子量: 299.497
• InChiKey: FBQCDJRSCUVUFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  21
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  55.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Oxy-and amino-substituted tetrahydrofuryl derivatives with antitumour activity
  申请人：——

  公开号：US20030092738A1

  公开（公告）日：2003-05-15

  Compounds of formula (I) wherein the substituent groups defined by R 1 , R 2 , R 3 and R 4 are each independently selected of H, C(═O)R, P(═O)R′R″, S(═O)R′R″, substituted or unsubstituted C 1 -C 18 alkyl, substituted or unsubstituted C 2 -C 18 alkenyl, substituted or unsubstituted C 2 -C 18 alkynyl, substituted or unsubstituted aryl; wherein each of the R′, R″ groups is independently selected from the group consisting of H, OH, NO 2 , NH 2 , SH, CN, halogen, ═O, C(═O)H, C(═O)CH 3 , CO 2 H, CO 2 CH 3 , substituted or unsubstituted C 1 -C 18 alkyl, substituted or unsubstituted C 2 -C 18 alkenyl, substituted or unsubstituted C 2 -C 18 alkynyl, substituted or unsubstitued aryl; wherein R 1 , R 2 , R 3 could form part of a heterocyclic ring; R 2 can be independently an internal salt; wherein X 1 , X 2 and X 3 on formula (I) are independently placed in any particular position of the chain and independently selected of H, OH, OR′, SH, SR′, SOR′, SO 2 R′, NO 2 , NH 2 , NHR′, N(R′) 2 , NHC(O)R′, CN, halogen, ═O, C(═O)H, C(═O)CH 3 , CO 2 H, CO 2 CH 3 , substituted or unsubstituted C 1 -C 18 alkyl, substituted or unsubstituted C 2 -C 18 , alkenyl, substituted or unsubstituted C 2 -C 18 alkynyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaromatic; wherein substituent groups defined by R′ are each independently selected from the group consisting of H, OH, OR′, SH, SR′, SOR′, SO 2 R′, NO 2 , NH 2 , NHR′, N(R′) 2 , NHC(O)R′, CN, halogen, ═O, C(═O)H, C(═O)CH 3 , CO 2 H, CO 2 CH 3 , substituted or unsubstituted C 1 -C 18 alkyl, substituted or unsubstituted C 2 -C 18 alkenyl, substituted or unsubstituted C 2 -C 18 alkynyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaromatic; wherein x can be between 6 and 20; and wherein the dotted line is one or several double bonds placed in any particular position of the side chain; are useful as antitumor compounds and include compound IK-8-73-4 of structure (a) which was isolated from a sponge Pachastrissa sp.

  式（I）的化合物，其中由R1，R2，R3和R4定义的取代基团分别独立选择H，C(═O)R，P(═O)R′R″，S(═O)R′R″，取代或未取代的C1-C18烷基，取代或未取代的C2-C18烯基，取代或未取代的C2-C18炔基，取代或未取代的芳基；其中每个R′，R″基团分别独立选择自H，OH，NO2，NH2，SH，CN，卤素，═O，C(═O)H，C(═O)CH3，CO2H，CO2CH3，取代或未取代的C1-C18烷基，取代或未取代的C2-C18烯基，取代或未取代的C2-C18炔基，取代或未取代的芳基；其中R1，R2，R3可以构成杂环环；R2可以独立为内盐；其中公式（I）上的X1，X2和X3可以独立地放置在链的任何特定位置，并且可以独立选择H，OH，OR′，SH，SR′，SOR′，SO2R′，NO2，NH2，NHR′，N(R′)2，NHC(O)R′，CN，卤素，═O，C(═O)H，C(═O)CH3，CO2H，CO2CH3，取代或未取代的C1-C18烷基，取代或未取代的C2-C18烯基，取代或未取代的C2-C18炔基，取代或未取代的芳基，取代或未取代的杂环芳基；其中由R′定义的取代基团分别独立选择自H，OH，OR′，SH，SR′，SOR′，SO2R′，NO2，NH2，NHR′，N(R′)2，NHC(O)R′，CN，卤素，═O，C(═O)H，C(═O)CH3，CO2H，CO2CH3，取代或未取代的C1-C18烷基，取代或未取代的C2-C18烯基，取代或未取代的C2-C18炔基，取代或未取代的芳基，取代或未取代的杂环芳基；其中x可以在6到20之间；其中虚线是一条或多条放置在侧链的任何特定位置的双键；它们可用作抗肿瘤化合物，并包括从海绵Pachastrissa sp.中分离出的结构为（a）的化合物IK-8-73-4。