8a,9-dihydro-7-phenyl-1-(phenylmethyl)-1H-diimidazo<1,5-a:4',5'-d>pyridine-6,8(4H,7H)-dione | 114923-79-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 8a,9-dihydro-7-phenyl-1-(phenylmethyl)-1H-diimidazo<1,5-a:4',5'-d>pyridine-6,8(4H,7H)-dione
• 英文别名: 8a,9-Dihydro-7-phenyl-1-(phenylmethyl)-1H-diimidazo[1,5-a:4',5'-d]pyridine-6,8(4H,7H)-dione；6-Benzyl-11-phenyl-1,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4-diene-10,12-dione
• CAS: 114923-79-4
• 化学式: C₂₁H₁₈N₄O₂
• 分子量: 358.4
• InChiKey: JWZGEQHSZOIRDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8a,9-dihydro-7-phenyl-1-(phenylmethyl)-1H-diimidazo<1,5-a:4',5'-d>pyridine-6,8(4H,7H)-dione 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以59%的产率得到(+/-)-4,5,6,7-tetrahydro-5-<(phenylamino)carbonyl>-1-(phenylmethyl)-1H-imidazo<4.5-c>pyridine-6-carboxylic acid
  参考文献：
  名称：

  4,5,6,7-四氢-1 H-咪唑并[4,5 - c ]吡啶-6-羧酸（藤本碱）

  摘要：

  报道了天然存在的氨基酸4,5,6,7-四氢-1 H-咪唑并[4,5 - c ]吡啶-6-羧酸（斯皮纳辛）的新衍生物。这些包括酰胺，酯，5-烷基和酰基，和区域专一Ñ IM -烷基和芳烷基衍生物。描述了通过在N个im-取代的组氨酸上的Pictet-Spengler反应进行的合成。包括菠菜碱的环状乙内酰脲衍生物。

  DOI：

  10.1002/jhet.5570280118
• 作为产物：
  描述：

  spinacine methyl ester 在 四甲基氢氧化铵 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 8a,9-dihydro-7-phenyl-1-(phenylmethyl)-1H-diimidazo<1,5-a:4',5'-d>pyridine-6,8(4H,7H)-dione
  参考文献：
  名称：

  Synthesis and structure-activity relationships of a novel series of non-peptide angiotensin II receptor binding inhibitors specific for the AT2 subtype

  摘要：

  Structure-activity relationships are reported for a novel class of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid derivatives that displace I-125-labeled angiotensin II from a specific subset of angiotensin II (Ang II) binding sites in rat adrenal preparations. This binding site is not the Ang II receptor mediating vascular contraction or aldosterone release, but, rather, is one whose function has not yet been fully elucidated. It has been identified in a number of tissues and has a similar affinity for Ang II and its peptide analogues as does the vascular receptor. The non-peptide compounds reported here are uniquely specific in displacing Ang II at this binding site and are inactive in antagonizing Ang II at the vascular receptor or in pharmacological assays measuring vascular effects. PD 123,319 (79), one of the most potent compounds, has an IC50 of 34 nM. Certain of these compounds may have utility in the definition and study of Ang II receptor subtypes.

  DOI：

  10.1021/jm00115a014

文献信息

• BLANKLEY, C. JOHN;HODGES, JOHN C.;KIELY, JOHN S.;KLUTCHKO, SYLVESTER R.
  作者：BLANKLEY, C. JOHN、HODGES, JOHN C.、KIELY, JOHN S.、KLUTCHKO, SYLVESTER R.

  DOI：——

  日期：——