2,5-dimethyl-1-[2'-(1H-tetrazol-5-yl)biphenyl-4-yl-methyl]pyrrole | 868741-92-8

• 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: 2,5-dimethyl-1-[2'-(1H-tetrazol-5-yl)biphenyl-4-yl-methyl]pyrrole
• 英文别名: 5-[2-[4-[(2,5-dimethylpyrrol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
• CAS: 868741-92-8
• 化学式: C₂₀H₁₉N₅
• 分子量: 329.404
• InChiKey: FUUPIYARUWXJGY-UHFFFAOYSA-N

物化性质

• 沸点：
  564.2±60.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,5-己二酮 、 (2-(1H-四唑-5-基)-[1,1-二联苯]-4-基)甲胺 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以54%的产率得到2,5-dimethyl-1-[2'-(1H-tetrazol-5-yl)biphenyl-4-yl-methyl]pyrrole
  参考文献：
  名称：

  [EN] NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY
  [FR] DERIVES DE PYRROLE POSSEDANT UNE ACTIVITE ANTAGONISTE DE L'ANGIOTENSINE II

  摘要：

  公开号：

  WO2005105789A3

文献信息

• Novel Pyrrole Derivatives with Angiotensin II Antagonist Activity
  申请人：Makovec Francesco

  公开号：US20070244170A1

  公开（公告）日：2007-10-18

  Compounds which may be represented by the general formula (I) shown below and in which: R 1 is a group independently selected from among: CHO, —COOH, —CH 2 OH R 2 is hydrogen or a linear or branched C 1 -C 6 alkyl group R 3 is hydrogen or a halogen group selected from among Cl and Br R 4 is a linear or branched C 3 -C 5 alkyl group and the pharmaceutically acceptable salts thereof such as the sodium or potassium salt. The compounds exhibit potent and selective All antagonist activity and are useful for the treatment of any disorders in which elevated synthesis of All or overexpression of the AT 1 receptor may play a primary pathological role, as in the case of arterial hypertension, congestive cardiac insufficiency, platelet aggregation and disorders associated therewith such as for example myocardial and cerebral infarction, renal ischaemia, venous and arterial thrombosis, peripheral vasculopathy, pulmonary hypertension, diabetes mellitus, diabetic neuropathy, glaucoma and diabetic retinopathy.

  化合物可以用下面的通式（I）表示，其中：R1是从以下组中独立选择的一组：CHO，—COOH，—CH2OH；R2是氢或线性或支链的C1-C6烷基；R3是氢或从Cl和Br中选择的卤素基团；R4是线性或支链的C3-C5烷基团，以及其药学上可接受的盐，例如钠盐或钾盐。这些化合物表现出强效和选择性的All拮抗活性，并且可用于治疗任何升高的All合成或AT1受体过度表达可能起主要病理作用的疾病，例如动脉高血压、充血性心力衰竭、血小板聚集和与之相关的疾病，例如心肌梗死和脑梗死、肾缺血、静脉和动脉血栓形成、周围血管病、肺动脉高压、糖尿病、糖尿病神经病变、青光眼和糖尿病性视网膜病变。
• Pyrrole derivatives with angiotensin II antagonist activity
  申请人：Rottapharm S.p.A.

  公开号：US07906501B2

  公开（公告）日：2011-03-15

  Compounds which may be represented by the general formula (I) shown below and in which: R1 is a group independently selected from among: CHO, —COOH, —CH2OH R2 is hydrogen or a linear or branched C1-C6 alkyl group R3 is hydrogen or a halogen group selected from among Cl and Br R4 is a linear or branched C3-C5 alkyl group and the pharmaceutically acceptable salts thereof such as the sodium or potassium salt. The compounds exhibit potent and selective All antagonist activity and are useful for the treatment of any disorders in which elevated synthesis of All or overexpression of the AT1 receptor may play a primary pathological role, as in the case of arterial hypertension, congestive cardiac insufficiency, platelet aggregation and disorders associated therewith such as for example myocardial and cerebral infarction, renal ischaemia, venous and arterial thrombosis, peripheral vasculopathy, pulmonary hypertension, diabetes mellitus, diabetic neuropathy, glaucoma and diabetic retinopathy.

  化合物可以用下面的通式（I）表示，其中：R1是从以下组中独立选择的一组：CHO，-COOH，-CH2OH；R2是氢或线性或支链的C1-C6烷基；R3是氢或从Cl和Br中选择的卤素基团；R4是线性或支链的C3-C5烷基；以及其药学上可接受的盐，如钠盐或钾盐。这些化合物具有强效且选择性的All拮抗剂活性，适用于治疗任何升高的All合成或AT1受体过度表达可能起主要病理作用的疾病，例如动脉高血压、充血性心力衰竭、血小板聚集及相关疾病，如心肌和脑梗塞、肾缺血、静脉和动脉血栓形成、周围血管病变、肺动脉高压、糖尿病、糖尿病神经病变、青光眼和糖尿病视网膜病变。
• NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY
  申请人：ROTTAPHARM S.P.A.

  公开号：EP1753746B8

  公开（公告）日：2012-02-15
• US7906501B2
  申请人：——

  公开号：US7906501B2

  公开（公告）日：2011-03-15
• [EN] NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY<br/>[FR] DERIVES DE PYRROLE POSSEDANT UNE ACTIVITE ANTAGONISTE DE L'ANGIOTENSINE II
  申请人：ROTTAPHARM SPA

  公开号：WO2005105789A3

  公开（公告）日：2006-02-02