methyl 21-(2-hydroxy-3,4-dimethoxy-6-methylbenzoyl)heneicosanoate | 77711-94-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 21-(2-hydroxy-3,4-dimethoxy-6-methylbenzoyl)heneicosanoate
• 英文别名: methyl 22-(2-hydroxy-3,4-dimethoxy-6-methylphenyl)-22-oxodocosanoate
• CAS: 77711-94-5
• 化学式: C₃₂H₅₄O₆
• 分子量: 534.777
• InChiKey: YXARHTVZLYLEBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  38
• 可旋转键数：
  25
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 21-(2-hydroxy-3,4-dimethoxy-6-methylbenzoyl)heneicosanoate 生成 Methyl 22-(2-hydroxy-3,4-dimethoxy-6-methylphenyl)docosanoate
  参考文献：
  名称：

  IMADA, ISUKE;OKUTANI, TETSUYA;WATANABE, MOSAZUMI

  摘要：

  DOI：
• 作为产物：
  描述：

  21-(2-hydroxy-3,4-dimethoxy-6-methylbenzoyl)heneicosanoic acid 、 甲醇 、 对甲苯磺酸 生成 methyl 21-(2-hydroxy-3,4-dimethoxy-6-methylbenzoyl)heneicosanoate
  参考文献：
  名称：

  OKAMOTO, KAYOKO;WATANABE, MASAZUMI;KAWADA, MITSURU;GOTO, GIICHI;ASHIDA, Y+, CHEM. AND PHARM. BULL., 1982, 30, N 8, 2797-2819

  摘要：

  DOI：

文献信息

• Synthesis of quinones having carboxy- and hydroxy-alkyl side chains, and their effects on rat-liver lysosomal membrane.
  作者：KAYOKO OKAMOTO、MASAZUMI WATANABE、MITSURU KAWADA、GIICHI GOTO、YASUKO ASHIDA、KATSUAKI ODA、AKIKO YAJIMA、ISUKE IMADA、HIROSHI MORIMOTO

  DOI：10.1248/cpb.30.2797

  日期：——

  In order to study the structure activity relationship of metabolites of ubiquinone, α-tocopherol and phylloquinone (Ia, b, c, IIa, b, c), 3-carboxy-2-butenyl (IIIa, b, c), 6-hydroxy-3-methyl-2-hexenyl (IVa, b, c), 4-hydroxy-3-methylbutyl (Va, b), 4-hydroxy-3-methyl-2-butenyl (VIb, c), ω-carboxyalkyl (VIIa, b, c), and ω-hydroxyalkyl (VIIIa, b) side chains were introduced into the 6-position of 2, 3-dimethoxy-5-methyl-1, 4-benzoquinone and 2, 3, 5-trimethyl-1, 4-benzoquinone, as well as the 3-position of 2-methyl-1, 4-naphthoquinone. The effects of these quinones on the membrane stability of rat-liver lysosomes and on the activity of bovine heart phosphodiesterase were investigated. A good correlation was observed between these activities of the benzoquinone derivatives (VIIa, b).

  为了研究辅酶Q、α-生育酚和叶绿醌（Ia, b, c, IIa, b, c）的代谢产物结构活性关系，将3-羧基-2-丁烯基（IIIa, b, c）、6-羟基-3-甲基-2-己烯基（IVa, b, c）、4-羟基-3-甲基丁基（Va, b）、4-羟基-3-甲基-2-丁烯基（VIb, c）、ω-羧基烷基（VIIa, b, c）和ω-羟基烷基（VIIIa, b）侧链引入到2, 3-二甲氧基-5-甲基-1, 4-苯醌和2, 3, 5-三甲基-1, 4-苯醌的6-位以及2-甲基-1, 4-萘醌的3-位。研究了这些醌类化合物对大鼠肝脏溶酶体膜稳定性和牛心磷酸二酯酶活性的影响。苯醌衍生物（VIIa, b）的这些活性之间观察到了良好的相关性。
• Method for therapy of ischemic disease
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04436753A1

  公开（公告）日：1984-03-13

  A mammal suffering from ischemic disease such as cerebral apoplexy, cardiac insufficiency, renal insufficiency due to vascular changes, etc. is remedied by administering to said mammal an effective amount of a compound of the formula: ##STR1## wherein n is an integer of from 4 to 22.

  患有缺血性疾病，如脑卒中、心脏功能不全、由于血管变化导致的肾功能不全等的哺乳动物，通过向该哺乳动物投予一定量的以下化合物来治疗：##STR1## 其中n为4至22的整数。
• Quinone carboxylic acids and ester derivatives
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04495104A1

  公开（公告）日：1985-01-22

  A compound of the general formula ##STR1## wherein n is an integer of 10 to 21, inclusive; R is H or lower alkyl having 1 to 4 carbon atoms has pharmaceutical activities such as hypotensive, tissue metabolism stimulating, immuno-regulatory, lysosomal membrane stabilizing and SRS-A production inhibitory activities and is useful as a heart failure remedy, cerebral circulation disturbance remedy, immuno-regulator, and antiallergic drug.

  具有一般化学式##STR1##的化合物，其中n是10到21之间的整数；R是H或具有1到4个碳原子的低烷基，具有药理活性，例如降压、组织代谢刺激、免疫调节、溶酶体膜稳定和SRS-A产生抑制活性，并且可用作心力衰竭疗法、脑循环障碍疗法、免疫调节剂和抗过敏药物。
• Medicinal compositions comprising as an active ingredient substituted 1,4-benzoquinones
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0031727B1

  公开（公告）日：1986-07-30
• 2,3-Dialkoxy-1,4-quinone derivatives; method of producing 1,4-quinone derivatives
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0021841B1

  公开（公告）日：1984-10-24