2-(异丁基氨基)乙基p-氨基苯酸酯,柠檬酸酯 | 98569-62-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-(异丁基氨基)乙基p-氨基苯酸酯,柠檬酸酯
• 英文名称: mallotochromene
• 英文别名: 1-[3-[(8-acetyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
• CAS: 98569-62-1
• 化学式: C₂₄H₂₆O₈
• 分子量: 442.466
• InChiKey: DIXWVWLWNGDQEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  134
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-[3-(3-乙酰基-2,4-二羟基-6-甲氧基-5-甲基苄基)-2,4,6-三羟基-5-(3-甲基-2-丁烯-1-基)苯基]乙酮 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 苯 为溶剂， 反应 0.33h， 以22 mg的产率得到isomallotochromene
  参考文献：
  名称：

  Cytotoxic and antiherpetic activity of phloroglucinol derivatives from Mallotus japonicus (Euphorbiaceae).

  摘要：

  The phloroglucinol derivatives isolated from Mallotus japonicus MUELL. ARG. (Euphorbiaceae) and their derivatives were evaluated for their capacity to produce cytotoxicity in HeLa cells and to inhibit the replication of herpes simplex virus type 1 (HSV-1). The characterizations of an isolated new acetophenone, malophenone (16), and cyclization products of mallotojaponin (1), isomallotochromene (17), mallotochroman (18) and isomallotochroman (19), were also described. All tested derivatives inhibited the replication of HSV-1 with ED50 in the range of 88ng-48μg/ml. The derivatives 12 and 19 were found in vitro therapeutic index with 10.9 and 9.1, respectively, and they were considered to be active antivirals.

  DOI：

  10.1248/cpb.38.1624

文献信息

• Cytotoxic and antiherpetic activity of phloroglucinol derivatives from Mallotus japonicus (Euphorbiaceae).
  作者：Munehisa ARISAWA、Akio FUJITA、Toshimitsu HAYASHI、Kyoko HAYASHI、Hiroshi OCHIAI、Naokata MORITA

  DOI：10.1248/cpb.38.1624

  日期：——

  The phloroglucinol derivatives isolated from Mallotus japonicus MUELL. ARG. (Euphorbiaceae) and their derivatives were evaluated for their capacity to produce cytotoxicity in HeLa cells and to inhibit the replication of herpes simplex virus type 1 (HSV-1). The characterizations of an isolated new acetophenone, malophenone (16), and cyclization products of mallotojaponin (1), isomallotochromene (17), mallotochroman (18) and isomallotochroman (19), were also described. All tested derivatives inhibited the replication of HSV-1 with ED50 in the range of 88ng-48μg/ml. The derivatives 12 and 19 were found in vitro therapeutic index with 10.9 and 9.1, respectively, and they were considered to be active antivirals.