2-butyl-6-chloro-5-phenethyl-1H-pyrimidine-4-one | 223927-28-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-butyl-6-chloro-5-phenethyl-1H-pyrimidine-4-one
• 英文别名: 6-chloro-2-butyl-5-(2'-phenylethyl)-pyrimidinone；2-butyl-4-chloro-5-(2-phenylethyl)-1H-pyrimidin-6-one
• CAS: 223927-28-4
• 化学式: C₁₆H₁₉ClN₂O
• 分子量: 290.793
• InChiKey: MVGBVRCCPMUGMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-butyl-6-chloro-5-phenethyl-1H-pyrimidine-4-one 在 palladium on activated charcoal ammonium hydroxide 、 氢气 作用下， 以 乙醇 为溶剂， 生成 2-butyl-5-phenethyl-3H-pyrimidin-4-one
  参考文献：
  名称：

  The Syntheses of Triazinone and Pyrimidinone Biphenyltetrazoles as Angiotensin II Receptor Antagonists

  摘要：

  AbstractA series of biphenylyltetrazole substituted triazinones and structure‐related pyrimidinones are systhesized, and their binding affinities for angiotensin II receptor are reported.

  DOI：

  10.1002/jccs.199900007
• 作为产物：
  描述：

  dimethyl 2-phenethylmalonate 在 sodium hydroxide 、 sodium ethanolate 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 8.83h， 生成 2-butyl-6-chloro-5-phenethyl-1H-pyrimidine-4-one
  参考文献：
  名称：

  The Syntheses of Triazinone and Pyrimidinone Biphenyltetrazoles as Angiotensin II Receptor Antagonists

  摘要：

  AbstractA series of biphenylyltetrazole substituted triazinones and structure‐related pyrimidinones are systhesized, and their binding affinities for angiotensin II receptor are reported.

  DOI：

  10.1002/jccs.199900007

文献信息

• Angiotensin II receptor antagonistic 1,2,4-triazin-5-one derivatives
  申请人：Development Center for Biotechnology

  公开号：US06071913A1

  公开（公告）日：2000-06-06

  Disclosed are novel 1,2,4-triazin-5-one biphenyl derivatives having structural formula (I) useful as non-peptide antagonists of angiotensin II receptor: ##STR1## where R.sub.1 represents alkyl, cycloalkyl, or substituted or unsubstituted aryl; R.sub.2 represents alkyl, substituted or unsubstituted aryl, or arylalkyl; A and D independently represent C--R.sub.3, N, NH or C.dbd.O, wherein when A and D independently denote C--R.sub.3 or N, b and c are independently a double bond, and when A and D independently denote NH or C.dbd.O, b and c are independently a single bond; provided that b and c are not both double bonds; and R.sub.3 is hydrogen, dialkylphosphonate or halogen; and pharmaceutically acceptable salts thereof. Also disclosed is the use of the compounds of formula (I) as non-peptide antagonists of angiotensin II receptor, in the treatment of cardiovascular diseases, in particular hypertension and congestive heart failure.

  本文披露了具有结构式（I）的新型1,2,4-三嗪-5-酮联苯衍生物，其可用作血管紧张素II受体的非肽拮抗剂：其中R.sub.1代表烷基、环烷基或取代或未取代芳基；R.sub.2代表烷基、取代或未取代芳基或芳基烷基；A和D独立地表示C--R.sub.3、N、NH或C.dbd.O，其中当A和D独立地表示C--R.sub.3或N时，b和c独立地表示双键，当A和D独立地表示NH或C.dbd.O时，b和c独立地表示单键；但要求b和c不同时为双键；R.sub.3为氢、二烷基磷酸酯或卤代素；及其药学上可接受的盐。还披露了将式（I）化合物用作血管紧张素II受体的非肽拮抗剂，用于治疗心血管疾病，特别是高血压和充血性心力衰竭。
• US6071913A
  申请人：——

  公开号：US6071913A

  公开（公告）日：2000-06-06
• The Syntheses of Triazinone and Pyrimidinone Biphenyltetrazoles as Angiotensin II Receptor Antagonists
  作者：Shan-Yen Choir、Paw-Hwa Yang、Chia-Lin J. Wang、Hsiao-Hwa Lu、Yin Chen、Jen-Mann Kao

  DOI：10.1002/jccs.199900007

  日期：1999.2

  AbstractA series of biphenylyltetrazole substituted triazinones and structure‐related pyrimidinones are systhesized, and their binding affinities for angiotensin II receptor are reported.