3-(4-(dimethylamino)phenyl)-3-oxopropanal | 51673-60-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(4-(dimethylamino)phenyl)-3-oxopropanal
• 英文别名: Formyl-p-dimethylaminobenzoylmethan；p-Dimethylaminobenzoylacetaldehyd；3-[4-(dimethylamino)phenyl]-3-oxopropanal
• CAS: 51673-60-0
• 化学式: C₁₁H₁₃NO₂
• mdl: MFCD09996345
• 分子量: 191.23
• InChiKey: SGMURVSNDWWNDD-UHFFFAOYSA-N

物化性质

• 沸点：
  350.1±27.0 °C(Predicted)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3,3-三甲基-2-亚甲基吲哚啉 、 3-(4-(dimethylamino)phenyl)-3-oxopropanal 以47%的产率得到
  参考文献：
  名称：

  SIDOROV A. P.; GALBERSHTAM M. A.; PRZHIYALGOVSKYA N. M., XIMIYA GETEROTSIKL. SOEDIN., 1981, HO 2, 202-206

  摘要：

  DOI：
• 作为产物：
  描述：

  二甲氨基苯乙酮 、 甲酸乙酯 在 sodium methylate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 19.0h， 以40%的产率得到3-(4-(dimethylamino)phenyl)-3-oxopropanal
  参考文献：
  名称：

  [EN] CYSTATHIONINE-Upsilon-LYASE (CSE) INHIBITORS
  [FR] INHIBITEURS DE LA CYSTATHIONINE- Gamma -LYASE (CSE)

  摘要：

  本文描述了一些化合物和含有这些化合物的药物组合物，这些化合物抑制半胱氨酸-γ-裂解酶（CSE）。本文还描述了使用这些CSE抑制剂的方法，单独或与其他化合物结合，用于治疗需要CSE抑制的疾病或病况。

  公开号：

  WO2014018570A1

文献信息

• Novel antibacterial amide compounds and process means for producing the
  申请人：Parke, Davis & Company

  公开号：US03954734A1

  公开（公告）日：1976-05-04

  Novel organic amide compounds which are N-[6-[(substituted amino)phenyl]-1,2-dihydro-2-oxonicotinyl]penicillin and cephalosporin type compounds having broad spectrum antibacterial utility are provided by (a) reacting the free amino acid of the appropriate penicillin or cephalosporin or the acid salt or silylated derivative thereof with a reactive derivative of the corresponding N-6-[(substituted amino)phenyl]-1,2-dihydro-2-oxonicotinic acid or (b) reacting the free amino acid 6-amino-penicillanic acid, 7-aminocephalosporanic acid, 7-amino-3-methylceph-3-em-4-carboxylic acid or a related compound or the acid salt or silylated derivative thereof with a reactive derivative of the corresponding D-N-[6-[(substituted amino)phenyl]-1,2-dihydro-2-oxonicotinyl]-2-substituted glycine. Pharmaceutical compositions containing said compounds and methods for treating infections using said compositions are also disclosed.

  本发明提供了一种新型有机酰胺化合物，即N-[6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酰基]青霉素和头孢菌素类化合物，具有广谱抗菌作用。其中，方法包括(a)将适当的青霉素或头孢菌素的游离氨基酸或其酸盐或硅化衍生物与相应的N-6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酸的反应衍生物反应；或(b)将游离氨基酸6-氨基-青霉烷酸、7-氨基头孢烷酸、7-氨基-3-甲基头孢-3-酰基-4-羧酸或相关化合物或其酸盐或硅化衍生物与相应的D-N-[6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酰基]-2-取代甘氨酸的反应衍生物反应。本发明还揭示了含有该化合物的制药组合物以及使用该组合物治疗感染的方法。
• Trialkylsilyl esters of 6(substituted
  申请人：Parke, Davis & Company

  公开号：US03951982A1

  公开（公告）日：1976-04-20

  Trialkylsilyl esters of 6-(substituted amino)phenyl-1,2-dihydro-2-oxonicotinic acid and acid addition salts thereof are disclosed. The compounds are useful intermediates in the preparation of pharmacological agents, especially antimicrobials of the penicillin or cephalosporin type. The compounds can be produced by reacting a 6-(substituted amino)phenyl-1,2-dihydro-2-oxonicotinic acid with a silylating agent and are converted to the useful corresponding acid chloride by reaction with thionyl chloride.

  本文介绍了6-(取代氨基)苯基-1,2-二氢-2-氧基烟酸的三烷基硅酯及其酸盐加合物。这些化合物是制备药理学制剂的有用中间体，特别是青霉素或头孢菌素类抗微生物药物。这些化合物可以通过将6-(取代氨基)苯基-1,2-二氢-2-氧基烟酸与硅化剂反应来制备，并通过与氯化硫酰反应转化为有用的相应酸氯化物。
• Substituted-1,2-dihydro-2-oxonicotinyl-cephalosporins
  申请人：Parke, Davis & Company

  公开号：US04053470A1

  公开（公告）日：1977-10-11

  Novel organic amide compounds which are N-[6-[(substituted amino)phenyl] 1,2-dihydro-2-oxonicotinyl]penicillin and cephalosporin type compounds having broad spectrum antibacterial utility are provided by (a) reacting the free amino acid of the appropriate penicillin or cephalosporin or the acid salt or silylated derivative thereof with a reactive derivative of the corresponding N-6-[(substituted amino)phenyl]-1,2-dihydro-2-oxonicotinic acid or (b) reacting the free amino acid 6-amino-penicillanic acid, 7-aminocephalosporanic acid, 7-amino-3-methylceph-3-em-4-carboxylic acid or a related compound or the acid salt or silylated derivative thereof with a reactive derivative of the corresponding D-N-[6-[(substituted amino)phenyl]-1,2-dihydro-2-oxonicotinyl]-2-substituted glycine. Pharmaceutical compositions containing said compounds and methods for treating infections using said compositions are also disclosed.

  本发明提供了新型有机酰胺化合物，其为N-[6-[(取代氨基)苯基]1,2-二氢-2-氧基烟酰基]青霉素和头孢菌素类型化合物，具有广谱抗菌作用，其方法为(a)将适当的青霉素或头孢菌素的游离氨基酸或其酸盐或硅烷衍生物与相应的N-6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酸的反应性衍生物反应，或者(b)将游离氨基酸6-氨基青霉烷酸、7-氨基头孢烷酸、7-氨基-3-甲基头孢-3-乙烯-4-羧酸或相关化合物或其酸盐或硅烷衍生物与相应的D-N-[6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酰基]-2-取代甘氨酸的反应性衍生物反应。本发明还公开了含有所述化合物的制药组合物以及使用所述组合物治疗感染的方法。
• CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS
  申请人：SOVA PHARMACEUTICALS, INC.

  公开号：US20150266837A1

  公开（公告）日：2015-09-24

  Described herein are compounds and pharmaceutical compositions containing such compounds which inhibit cystathionine-γ-lyase (CSE). Also described herein are methods for using such CSE inhibitors, alone or in combination with other compounds, for treating diseases or conditions that would benefit from CSE inhibition.

  本文描述了一些化合物和含有这些化合物的药物组合物，这些化合物可以抑制半胱氨酸-γ-裂解酶（CSE）。本文还描述了使用这些CSE抑制剂的方法，单独或与其他化合物组合使用，用于治疗需要CSE抑制的疾病或情况。
• USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS
  申请人：SOVA PHARMACEUTICALS, INC.

  公开号：US20150272934A1

  公开（公告）日：2015-10-01

  Described are methods of treatment of cutaneous injuries or conditions comprising administration of CSE inhibitors to individuals in need thereof. Also described herein are methods of treatment of sleep-related breathing disorders comprising administration of CSE inhibitors to individuals in need thereof.

  本文描述了治疗皮肤损伤或疾病的方法，包括向需要此类治疗的个体投药CSE抑制剂。此外，本文还描述了治疗睡眠相关呼吸障碍的方法，包括向需要此类治疗的个体投药CSE抑制剂。