(+)-PD 123177 | 136676-90-9

• 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 123177
• 英文别名: (S)-1-<(4-amino-3-methylphenyl)methyl>-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo<4,5-c>pyridine-6-carboxylic acid；PD 123177；PD123,177；(S)-1-[(4-amino-3-methylphenyl)methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid；1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid；(6S)-1-[(4-amino-3-methylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
• CAS: 136676-90-9
• 化学式: C₂₉H₂₈N₄O₃
• 分子量: 480.566
• InChiKey: KLVDUSUYBDMJKR-SANMLTNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(3-甲基-4-硝基苄基)-L-组氨酸二盐酸 在 镍 盐酸 、 sodium hydroxide 、 氢气 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 水 、 乙腈 为溶剂， 25.0 ℃ 、344.73 kPa 条件下， 反应 82.0h， 生成 (+)-PD 123177
  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
• 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
• [EN] 4,5,6,7-TETRAHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE DERIVATIVES AND ANALOGUES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS
  申请人：——

  公开号：WO1992005784A1

  公开（公告）日：1992-04-16

  [EN] The present invention relates to the use of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acids and analogs thereof in antagonizing the binding of angiotensin II to AT2 receptors.
  [FR] La présente invention concerne l'emploi d'acides carboxyliques de 4,5,6,7-tétrahydro-1H-imidazo[4,5-c]pyridine-6 et d'analogues deceux-ci pour s'opposer à la fixation de l'angiotensine II sur des récepteurs AT2.