1,2-di-(4-methoxyphenyl)-4-(1-methoxycarbonylmethyl-5-ethyl-2-pyrrolyl)-1,4-butanedione | 158139-59-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1,2-di-(4-methoxyphenyl)-4-(1-methoxycarbonylmethyl-5-ethyl-2-pyrrolyl)-1,4-butanedione
• 英文别名: Methyl 2-[2-[3,4-bis(4-methoxyphenyl)-4-oxobutanoyl]-5-ethylpyrrol-1-yl]acetate
• CAS: 158139-59-4
• 化学式: C₂₇H₂₉NO₆
• 分子量: 463.53
• InChiKey: IEJOAQYXIZPPSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  34
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  83.8
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• 2,3-diphenyl-5-pyrrolyl-furan derivatives, processes and intermediates for their preparation and their use as anti-inflammatory, and anti-allergic and platelet aggregation inhibiting agents
  申请人：NIHON IYAKUHIN KOGYO CO., LTD.

  公开号：EP0597291A1

  公开（公告）日：1994-05-18

  Diphenylpyrrolylfuran derivatives represented by the following formula (I): wherein R₁ and R₂ may be the same or different and independently represent a hydrogen atom, a halogen atom, a lower alkyl group, a lower alkoxy group, a lower alkylthio group, or a lower alkylsulfenyl group; m and n independently represent an integer of from 1 to 3; R₃ represents a hydrogen atom or a lower alkyl group, R₄ represents a hydrogen atom, a lower alkyl group, or a lower acyl group; and R₅ represents a hydrogen atom, a lower alkyl group which may have one or more suitable substituents, a lower alkoxy- or an aryloxy-carbonyl group, an acyl group, or a sulfonyl group, and pharmaceutically acceptable salts thereof are disclosed. The compounds disclosed are useful as anti-inflammatory agents, anti-allergic agents, anti-platelet agents; and synthetic intermediates for the preparation of the coumpounds of the formula (I) represented by the following formula (II):

  下式 (I) 所代表的二苯基吡咯烷呋喃衍生物： 其中 R₁ 和 R₂ 可以相同或不同，并独立地代表氢原子、卤素原子、低级烷基、低级烷氧基、低级烷硫基或低级烷基亚磺酰基；m 和 n 独立地代表 1 至 3 的整数；R₃代表氢原子或低级烷基，R₄代表氢原子、低级烷基或低级酰基；R₅代表氢原子、低级烷基（可具有一个或多个合适的取代基）、低级烷氧基或芳氧基羰基、酰基或磺酰基及其药学上可接受的盐。所公开的化合物可用作抗炎剂、抗过敏剂、抗血小板剂；也可用作制备式（I）化合物的合成中间体。 由下式（II）表示：
• US5321041A
  申请人：——

  公开号：US5321041A

  公开（公告）日：1994-06-14