5-(Bis-allyloxy-phosphoryl)-2,6-dimethyl-4-(3-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid methyl ester | 112057-28-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(Bis-allyloxy-phosphoryl)-2,6-dimethyl-4-(3-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid methyl ester
• 英文别名: Methyl 5-bis(prop-2-enoxy)phosphoryl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
• CAS: 112057-28-0
• 化学式: C₂₂H₂₅F₃NO₅P
• 分子量: 471.413
• InChiKey: IGIACTGUAWLARM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  diallyl acetonylphosphonate 在 哌啶乙酸盐 作用下， 以 异丙醇 、 苯 为溶剂， 生成 5-(Bis-allyloxy-phosphoryl)-2,6-dimethyl-4-(3-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid methyl ester
  参考文献：
  名称：

  Synthesis and antihypertensive activities of 1,4-dihydropyridine-5-phosphonate derivatives. I.

  摘要：

  一系列膦酸盐衍生物被设计为1,4-二氢吡啶-3,5-二羧酸盐的类似物，其中在5-位引入了膦酸基团而非羧酸基团，这些化合物被合成并检测了它们的降血压活性。在所研究的化合物中，5-二烯丙氧基膦基-1,4-二氢吡啶-3-羧酸盐在降低正常血压大鼠和自发性高血压大鼠（SHR）的血压方面最为有效。这些膦酸盐衍生物被认为是羧酸盐衍生物的近似类似物。结构-活性关系在此进行了讨论。

  DOI：

  10.1248/cpb.35.3898

文献信息

• Derivatives of dihydropyridine and production thereof
  申请人：NIPPON SHINYAKU COMPANY, LIMITED

  公开号：EP0121117A1

  公开（公告）日：1984-10-10

  1,4-Dihydropyridine-3-carboxylate derivatives having the general formular have been found to exhibit vasodilating, peripheral blood vessel dilating and blood pressure decreasing action and are useful as remedies for angina pectoris, hypertension, brain circulatory disorder, and other circular diseases. A method for producing such derivatives is also disclosed.

  1,4-二氢吡啶-3-羧酸盐衍生物的通式为 已发现这些衍生物具有扩张血管、扩张外周血管和降低血压的作用，可用于治疗心绞痛、高血压、脑循环障碍和其他循环系统疾病。此外，还公开了一种生产此类衍生物的方法。
• MORITA, IWAO;TADA, SHIN-ICHI;KUNIMOTO, KATSUTOSHI;TSUDA, MASAMI;KISE, MAS+, CHEM. AND PHARM. BULL., 35,(1987) N 9, 3898-3904
  作者：MORITA, IWAO、TADA, SHIN-ICHI、KUNIMOTO, KATSUTOSHI、TSUDA, MASAMI、KISE, MAS+

  DOI：——

  日期：——
• US4535073A
  申请人：——

  公开号：US4535073A

  公开（公告）日：1985-08-13
• Synthesis and antihypertensive activities of 1,4-dihydropyridine-5-phosphonate derivatives. I.
  作者：IWAO MORITA、SHIN-ICHI TADA、KATSUTOSHI KUNIMOTO、MASAMI TSUDA、MASAHIRO KISE、KIYOSHI KIMURA

  DOI：10.1248/cpb.35.3898

  日期：——

  A series of phosphonate derivatives, designed as analogues of 1, 4-dihydropyridine-3, 5- dicarboxylates in which a phosphonate group was introduced instead of the carboxylate group at the 5-position, was synthesized, and their antihypertensive activities were examined. Among the compounds examined, 5-diallyloxyphosphinyl-1, 4-dihydropyridine-3-carboxylates were most effective in lowering the blood pressure in normotensive rats and spontaneously hypertensive rats (SHR). The phosphonate derivatives are considered to be close analogues of the carboxylate derivatives. The structure-activity relationships are discussed.

  一系列膦酸盐衍生物被设计为1,4-二氢吡啶-3,5-二羧酸盐的类似物，其中在5-位引入了膦酸基团而非羧酸基团，这些化合物被合成并检测了它们的降血压活性。在所研究的化合物中，5-二烯丙氧基膦基-1,4-二氢吡啶-3-羧酸盐在降低正常血压大鼠和自发性高血压大鼠（SHR）的血压方面最为有效。这些膦酸盐衍生物被认为是羧酸盐衍生物的近似类似物。结构-活性关系在此进行了讨论。