4-氧代-1-苯基-1,2,3,4-四氢-1-萘甲酸 | 2997-25-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 4-氧代-1-苯基-1,2,3,4-四氢-1-萘甲酸
• 英文名称: 4-oxo-1-phenyl-1,2,3,4-tetrahydro-1-naphthalenecarboxylic acid
• 英文别名: 4-oxo-1-phenyl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid；1-Carboxy-1-phenyl-4-tetralon；4-Oxo-1-phenyl-2,3-dihydronaphthalene-1-carboxylic acid
• CAS: 2997-25-3
• 化学式: C₁₇H₁₄O₃
• 分子量: 266.296
• InChiKey: FFYTWEINTNFGIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-氧代-1-苯基-1,2,3,4-四氢-1-萘甲酸 生成 (-)-(1R)-4-oxo-1-phenyl-1,2,3,4-tetrahydro-1-naphthalenecarboxylic acid
  参考文献：
  名称：

  5-Methyl-6-phenyl-1,3,5,6-tetrahydro-3,6-methano-1,5-benzodiazocine-2,4- dione (BA 41899): Representative of a Novel Class of Purely Calcium-Sensitizing Agents

  摘要：

  BA 41899 (5-methyl-6-phenyl-1,3,5,6-tetrahydro-3,6-methano-1,5-benzodiazocine-2,4-dione, 6) is a structurally novel 1,5-benzodiazocine derivative and represents the prototype of a hitherto unknown class of positive inotropic Ca2+-sensitizing agents. It is completely devoid of phosphodiesterase (PDE) III inhibitory activity or any other known inotropic mechanism. BA 41899 (6) exhibits a pharmacological in vitro profile comprising Ca2+-sensitizing, positive inotropic, and negative chronotropic effects. CGP 48506 ((+)-6), the (+)-enantiomer of BA 41899 (6), enantiospecifically carries Ca2+ sensitization by up to a full pCa unit and a corresponding positive inotropic effect. Conversely, the negative chronotropic action resides in the corresponding (-)-enantiomer, CGP 48508 ((-)-6). Ah the effects are exerted in the low micromolar range. The positive inotropic action of CGP 48506 ((+)-6) is associated with a decelerating effect on contraction and, more prominently, relaxation dynamics in isolated guinea pig atria. In contrast to Ca2+-sensitizing PDE inhibitors, CGP 48506 ((+)-6) does not increase maximum Ca2+-activated force in myocardial skinned fibers.

  DOI：

  10.1021/jm00015a017
• 作为产物：
  描述：

  2,2-二苯基戊二酸 生成 4-氧代-1-苯基-1,2,3,4-四氢-1-萘甲酸
  参考文献：
  名称：

  Migratory Aptitudes of Unsaturated Groups¹

  摘要：

  DOI：

  10.1021/jo01030a008

文献信息

• Joshi, U. R.; Khadilkar, B. M.; Samant, S. D., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, p. 75 - 76
  作者：Joshi, U. R.、Khadilkar, B. M.、Samant, S. D.

  DOI：——

  日期：——
• JOSHI, U. R.;KHADILKAR, B. M.;SAMANT, S. D., INDIAN J. CHEM., 26,(1987) N 1, 75-76
  作者：JOSHI, U. R.、KHADILKAR, B. M.、SAMANT, S. D.

  DOI：——

  日期：——