2-hydroxy-3-(2-(4-isobutylphenyl)propanoyloxy)propyl methacrylate | 905707-85-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-hydroxy-3-(2-(4-isobutylphenyl)propanoyloxy)propyl methacrylate
• 英文别名: [2-Hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]propyl] 2-methylprop-2-enoate
• CAS: 905707-85-9
• 化学式: C₂₀H₂₈O₅
• 分子量: 348.439
• InChiKey: ZOWBIBOQMNQRLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  布洛芬 、 甲基丙烯酸缩水甘油酯 在 butyl methyl imidazolium silica sulfate 作用下， 以 乙腈 为溶剂， 反应 36.0h， 以50%的产率得到2-hydroxy-3-(2-(4-isobutylphenyl)propanoyloxy)propyl methacrylate
  参考文献：
  名称：

  丁基甲基咪唑硅硫酸盐 (BMIm)SS：一种新型杂化纳米催化剂，用于高效合成布洛芬的新型 1,2-二醇单酯作为具有强镇痛作用的新型布洛芬前药

  摘要：

  描述了丁基甲基咪唑硅硫酸盐 [BMIm]SS 作为一种新型纳米杂化催化剂的制备、表征及其在合成新型布洛芬 (IBP) 1,2-二醇单酯中的应用。[BMIm]SS 催化 IBP 与环氧化物的反应，以良好到极好的产率提供新的 IBP 1,2-二醇单酯。使用福尔马林试验在体内测试了这些产品对雌性小鼠的镇痛特性。测试结果表明，大多数化合物，尤其是化合物1h、1k和1o与作为参考药物的 IBP 相比，显示出有效的镇痛活性。由于合成化合物的毒性，没有观察到死亡。进行对接分析，证实了与 IBP 相比，活性化合物对鼠环加氧酶-2 (COX-2) 酶的活性位点的强结合亲和力。的在计算机芯片上的药物动力学曲线，类药性和毒性预测是用于该判断的所有化合物进行1H可被建议为适当的未来候选药物。

  DOI：

  10.1016/j.bioorg.2020.104570

文献信息

• IMPLANTABLE SWELLABLE BIO-RESORBABLE POLYMER
  申请人：Moine Laurence

  公开号：US20130344159A1

  公开（公告）日：2013-12-26

  The present invention relates to a polymer obtained from the polymerization of: (i) at least one monomer of formula (I) (CH 2 ═CR 1 )CO—K (1) wherein: K represents O—Z or NH—Z, Z representing (CR 2 R 3 )m-CH 3 , (CH 2 —CH 2 —O)m-H, (CH 2 —CH 2 —O)m-CH 3 , (CH 2 )m-NR 4 R 5 with m representing an integer from 1 to 30; R 1 , R 2 , R 3 , R 4 and R 5 independently represent H or a C1-C6 alkyl; (ii) at least between 0.1 and 50% mol, advantageously between 1 and 30% mol, more advantageously between 1 and 20 mol % of a cyclic monomer having a exomethylene group of formula (II) wherein: R6, R7, R8 and R9 represent independently H or a C5-C7 aryl group or R6 and R9 are absent and R7 and R8 form together with the carbon atom on which they are bonded a C5-C7 aryl group; i and j represent independently an integer chosen between 0 and 2; X represents either O or X is not present and in this latter case, CR6R7 and CR8R9 are linked via a single bond C—C and (iii) at least one bio-resorbable block copolymer cross-linker.

  本发明涉及一种聚合物，其由以下单体的聚合而得：(i)至少一种化学式(I) (CH2═CR1)CO—K (1)的单体，其中：K代表O—Z或NH—Z，Z代表(CR2R3)m-CH3，(CH2—CH2—O)m-H，(CH2—CH2—O)m-CH3，(CH2)m-NR4R5，其中m代表1到30之间的整数；R1、R2、R3、R4和R5独立地代表H或C1-C6烷基；(ii)至少在0.1到50%摩尔之间，优选在1到30%摩尔之间，更优选在1到20摩尔%之间的含有化学式(II)的环状单体的聚合物，其中：R6、R7、R8和R9独立地代表H或C5-C7芳基，或R6和R9不存在且R7和R8与它们键合的碳原子一起形成C5-C7芳基；i和j独立地代表0到2之间的整数；X代表O或X不存在，在后一种情况下，CR6R7和CR8R9通过单键C—C连接；(iii)至少一种生物可吸收的嵌段共聚物交联剂。
• Implantable bio-resorbable polymer
  申请人：Occlugel

  公开号：EP2295480A1

  公开（公告）日：2011-03-16

  The present invention relates to a polymer obtained from the polymerization of: (i) at least one monomer of formula (I)         (CH2=CR1)CO-K     (I) wherein: - K represents O-Z or NH-Z, Z representing (CR2R3)m-CH3, (CH2-CH2-O)m-OH, (CH2-CH2-O)m-OCH3, (CH2)m-NR4R5 with m representing an integer from 1 to 30; - R1, R2, R3, R4 and R5 independently represent H or a C1-C6 alkyl; and (ii) at least one bio-resorbable block copolymer cross-linker.

  本发明涉及一种由下列物质聚合而成的聚合物 (i) 至少一种式 (I) 单体 (ch2=cr1)co-k (i) 其中 - K 代表 O-Z 或 NH-Z，Z 代表 (CR2R3)m-CH3、(CH2-CH2-O)m-OH、(CH2-CH2-O)m-OCH3、(CH2)m-NR4R5，其中 m 代表 1 至 30 之间的整数； - R1、R2、R3、R4 和 R5 独立地代表 H 或 C1-C6 烷基； 和 (ii) 至少一种生物可吸收嵌段共聚物交联剂。
• US9320806B2
  申请人：——

  公开号：US9320806B2

  公开（公告）日：2016-04-26
• [EN] IMPLANTABLE BIO-RESORBABLE POLYMER<br/>[FR] POLYMÈRE BIO-RÉSORBABLE IMPLANTABLE
  申请人：OCCLUGEL

  公开号：WO2011029867A1

  公开（公告）日：2011-03-17

  The present invention relates to a polymer obtained from the polymerization of: (i) at least one monomer of formula (I) (CH2=CR1)CO-K (I) wherein: K represents 0-Z or NH-Z, Z representing (CR2R3)m-CH3, (CH2-CH2-O)m-H, (CH2- CH2-O )m-CH3, (CH2)m-N R4R5 with m representing an integer from 1 to 30; R1, R2, R3, R4 and R5 independently represent H or a C1 -C6 alkyl; and (ii) at least one bio-resorbable block copolymer cross-linker.
• [EN] IMPLANTABLE SWELLABLE BIO-RESORBABLE POLYMER<br/>[FR] POLYMÈRE BIORÉSORBABLE GONFLABLE IMPLANTABLE
  申请人：OCCLUGEL

  公开号：WO2012120138A1

  公开（公告）日：2012-09-13

  The present invention relates to a polymer obtained from the polymerization of: (i) at least one monomer of formula (I) (CH2=CR1)CO-K (l) wherein: - K represents O-Z or N H-Z, Z representing (CR2R3)m-CH3, (CH2-CH2-O)m-H, (CH2-CH2-O)m-CH3, (CH2)m-NR4R5 with m representing an integer from 1 to 30; - R1, R2, R3, R4 and R5 independently represent H or a C1 -C6 alkyl; (ii) at least between 0.1 and 50% mol, advantageously between 1 and 30% mol, more advantageously between 1 and 20 mol % of a cyclic monomer having a exomethylene group of formula (II) wherein: - R6, R7, R8 and R9 represent independently H or a C5-C7 aryl group or R6 and R9 are absent and R7 and R8 form together with the carbon atom on which they are bonded a C5-C7 aryl group; - i and j represent independently an integer chosen between 0 and 2; - X represents either O or X is not present and in this latter case, CR6R7 and CR8R9 are linked via a single bond C-C and (iii) at least one bio-resorbable block copolymer cross-linker.