5-acetyl-4-(2-chloro-phenyl)-6-methyl-2-[2-(3-nitro-phenyl)-2-oxo-ethylsulfanyl]-1,4-dihydro-pyridine-3-carbonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-acetyl-4-(2-chloro-phenyl)-6-methyl-2-[2-(3-nitro-phenyl)-2-oxo-ethylsulfanyl]-1,4-dihydro-pyridine-3-carbonitrile
• 英文别名: 5-Acetyl-4-(2-chlorophenyl)-6-methyl-2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile；5-acetyl-4-(2-chlorophenyl)-6-methyl-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile
• 化学式: C₂₃H₁₈ClN₃O₄S
• 分子量: 467.933
• InChiKey: HDWKIOSCEGCLTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  141
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-acetyl-4-(2-chloro-phenyl)-6-methyl-2-[2-(3-nitro-phenyl)-2-oxo-ethylsulfanyl]-1,4-dihydro-pyridine-3-carbonitrile 在 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 生成 1-[3-amino-4-(2-chloro-phenyl)-6-methyl-2-(3-nitro-benzoyl)-4,7-dihydro-thieno[2,3-b]pyridin-5-yl]-ethanone
  参考文献：
  名称：

  WO2007/73555

  摘要：

  公开号：

文献信息

• 4,7-DIHYDROTHIENO[2,3-B]PYRIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS
  申请人：Gamber Gabriel G.

  公开号：US20090306373A1

  公开（公告）日：2009-12-10

  This invention relates generally to compounds and pharmaceutical compositions for the treatment of myosin heavy chain (MyHC)-mediated conditions, and in particular, cardiovascular conditions.

  本发明涉及一般用于治疗肌球蛋白重链（MyHC）介导的疾病，特别是心血管疾病的化合物和制药组合物。
• Methods For The Treatment Of Myosin Heavy Chain-Mediated Conditions Using 4,7-Dihydrothieno[2,3-B]Pyridine Compounds
  申请人：Gamber Gabriel G.

  公开号：US20110105496A1

  公开（公告）日：2011-05-05

  This invention relates generally to methods for the treatment of myosin heavy chain (MyHC)-mediated conditions, and in particular, cardiovascular conditions.

  本发明涉及治疗肌球蛋白重链（MyHC）介导的疾病的方法，特别是心血管疾病的方法。
• 1,4-DIHYDROPYRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE
  申请人：MYOGEN, INC.

  公开号：EP1685108B1

  公开（公告）日：2008-07-23
• US7485653B2
  申请人：——

  公开号：US7485653B2

  公开（公告）日：2009-02-03
• [EN] 1,4-DIHYDROPYRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE<br/>[FR] COMPOSES DE 1,4-DIHYDROPYRIDINE, COMPOSITIONS PHARMACEUTIQUES ET METHODES DESTINEES AU TRAITEMENT DE MALADIES CARDIOVASCULAIRES
  申请人：MYOGEN INC

  公开号：WO2005042486A1

  公开（公告）日：2005-05-12

  The present invention provides certain substituted 1,4-dihydropyridine compounds, including pure enantiomeric forms and pharmaceutical formulations thereof These compounds provide for elevation of α-MyHC protein levels and α-MyHC mRNA levels, and most frequently these same compounds provide simultaneous lowering of β-MyHC protein levels and β-MyHC mRNA levels. Thus, these compounds may be used alone or in conjunction with other drugs to treat heart failure.