PD 121981 | 136676-76-1

• 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: PD 121981
• 英文别名: (S)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1-<(4-methoxy-3-methylphenyl)methyl>-4,5,6,7-tetrahydro-1-H imidazo<4,5-c>pyridine-6-carboxylic acid；(S)-1-[[4-methoxy-3-methylphenyl]methyl]-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid；PD121,981；(S)-(-)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1-[(4-methoxy-3-methyl-phenyl)methyl]-1H-imidazo[4,5-c]pyridine-6-carboxylic acid；(S)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-H imidazo[4,5-c]pyridine-6-carboxylic acid；5-Diphenylacetyl-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid；(6S)-5-(2,2-diphenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
• CAS: 136676-76-1
• 化学式: C₃₀H₂₉N₃O₄
• 分子量: 495.578
• InChiKey: QEKGGRXXFXFZAV-SANMLTNESA-N

物化性质

• 沸点：
  769.3±60.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  84.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (S)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1-<(4-methoxy-3-methylphenyl)methyl>-1H-imidazo<4,5-c>pyridine-6-carboxylic acid methyl ester 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 4.0h， 以68.8%的产率得到PD 121981
  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

• 4,5,6,7-TETRAHYDRO-1H-IMIDAZO 4,5-C]PYRIDINE DERIVATIVES AND ANALOGUES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS
  申请人：Warner-Lambert Company

  公开号：EP0551432A1

  公开（公告）日：1993-07-21
• METHOD OF TREATING ABNORMAL TISSUE PROLIFERATION BY ADMINISTERING AN ANGIOTENSIN II ANTAGONIST
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0625902A1

  公开（公告）日：1994-11-30
• Methods and Compositions For Improved Nerve Conduction Velocity
  申请人：McCarthy Thomas David

  公开号：US20130131103A1

  公开（公告）日：2013-05-23

  The present invention provides methods and compositions for the effective treatment of impaired nerve signal conduction. Compositions including selective AT 2 receptor antagonists as active agents and methods of use in relation to improving nerve signal conduction or reversing impaired nerve signal conduction are described.
• US5338744A
  申请人：——

  公开号：US5338744A

  公开（公告）日：1994-08-16
• US5444069A
  申请人：——

  公开号：US5444069A

  公开（公告）日：1995-08-22