4-Methyl-2-(2-nitro-phenyl)-3-(2-oxo-2λ⁵-[1,3,2]dioxaphosphinan-2-yl)-6,7,8,9-tetrahydro-2H-quinolizine-1-carboxylic acid methyl ester | 116319-75-6

• 分子结构分类: 有机化合物
• 英文名称: 4-Methyl-2-(2-nitro-phenyl)-3-(2-oxo-2λ⁵-[1,3,2]dioxaphosphinan-2-yl)-6,7,8,9-tetrahydro-2H-quinolizine-1-carboxylic acid methyl ester
• 英文别名: methyl 4-methyl-2-(2-nitrophenyl)-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-6,7,8,9-tetrahydro-2H-quinolizine-1-carboxylate
• CAS: 116319-75-6
• 化学式: C₂₁H₂₅N₂O₇P
• 分子量: 448.412
• InChiKey: IXZLSXRCZFNJOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.47
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  108.21
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  2-(1-(2-Nitrobenzylidene)-acetonyl)-2-oxo-1,3,2-dioxaphosphorinane 、 methyl (2E)-2-piperidin-2-ylideneacetate 以21%的产率得到
  参考文献：
  名称：

  MORITA, IWAO;HARUTA, YUKO;TOMITA, TOSHIO;TSUDA, MASAMI;KANDORI, KAZUHISA;+, CHEM. AND PHARM. BULL., 35,(1987) N 12, 4819-4828

  摘要：

  DOI：

文献信息

• Syntheses and antihypertensive activities of 1,4-dihydropyridine-5-phosphonate derivatives. III.
  作者：IWAO MORITA、Yuko HARUTA、TOSHIO TOMITA、MASAMI TSUDA、KAZUHISA KANDORI、MASAHIRO KISE、KIYOSHI KIMURA

  DOI：10.1248/cpb.35.4819

  日期：——

  Various 1-and 2-substituted and 1, 2-fused 1, 4-dihydropyridine-5-phosphonate derivatives were designed and synthesized as analogues of 1, 4-dihydropyridine-3, 5-dicarboxylate, and their antihypertensive activities were examined. Several compounds proved to be equal or superior to nifedipine in lowering blood pressure in normotensive and spontaneously hypertensive rats. Among these compounds, 1-substituted 1, 4-dihydropyridine derivatives showed potent antihypertensive activities. The structure-activity relationships are discussed.

  设计并合成了多种1-和2-取代以及1, 2-融合的1, 4-二氢吡啶-5-膦酸酯衍生物，作为1, 4-二氢吡啶-3, 5-二羧酸盐的类似物，研究了它们的抗高血压活性。几个化合物在降低正常血压和自发性高血压大鼠的血压方面证明与尼非地平相当或更优。在这些化合物中，1-取代的1, 4-二氢吡啶衍生物显示出强效的抗高血压活性。讨论了它们的结构-活性关系。