CAS: 942436-93-3; 4-Amino-8-(2,5-Dimethoxyphenyl)-N-Propylcinnoline-3-Carboxamide

• 英文名称4-Amino-8-(2,5-Dimethoxyphenyl)-N-Propylcinnoline-3-Carboxamide
• 中文名称4-氨基-8-(2,5-二甲氧基苯基)-N-丙基噌啉-3-甲酰胺
• IUPAC名称4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide
• 其它别名B9Z1Oeh19D; 4-Amino-8-(2,5-Dimethoxyphenyl)-N-Propylcinnoline-3-Carboxamide; Unii-B9Z1Oeh19D; 3-Cinnolinecarboxamide, 4-Amino-8-(2,5-Dimethoxyphenyl)-N-Propyl-; Nvwczrpxyvdqee-Uhfffaoysa-N
• CAS编号942436-93-3
• MFCD编号:MFCD21337368
• FDA UNII编号:B9Z1OEH19D
• 分子式:C20H22N4O3分子量:366.42
• 产品CID: 1991446

• 相似结构搜索
• InChIKey: NVWCZRPXYVDQEE-UHFFFAOYSA-N
• InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)
• 计算化学: 氢键受体数6.0氢键供体数2.0可旋转键数6.0

物理性质

• 密度1.225±0.06 g/cm3(预测)
• pKa:11.76±0.46(预测)
• LogP:3.1
• 溶解性DMSO: 62.5 mg/mL (170.57 Mm)
• 外观形态淡黄色至黄色固体
• 储存条件储存在 -20°C
• 产品应用该化合物用于治疗普遍焦虑症.

MSDS等安全信息

合成工艺路线路线简述

• 107099-99-0 + 107346-32-7 = 942436-93-3
  反应条件:1.1 Reagents: Sodium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Ethanol,1,2-Dimethoxyethane,Water; 10 - 20 Min,Rt; 2 - 24 H,Reflux; Reflux -> Rt
  标题:Preparation Of Aminocinnolinecarboxamides For The Treatment Of Schizophrenia
  参考文献:World Intellectual Property Organization]
  
  107099-99-0 + 107346-32-7 = 942436-93-3
  反应条件:1.1 Catalysts: Dichlorobis(Triphenylphosphine)Palladium Solvents: 1,2-Dimethoxyethane; 10 - 20 Min,Rt1.2 Reagents: Sodium Carbonate Solvents: Water; 2 - 24 H,Reflux; Reflux -> Rt
  标题:Preparation Of Novel Cinnoline Compounds For Treating Anxiety,Depression And Cognition Disorders
  参考文献:United States]
  
  107099-99-0 + 107346-32-7 = 942436-93-3
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Ethanol,1,2-Dimethoxyethane,Water; 90 °C
  标题:Development And Sar Of Functionally Selective Allosteric Modulators Of Gabaa Receptors
  作者:Alhambra,Cristobal; Becker,Chris; Blake,Timothy; Chang,Amy; Damewood,James R. Jr.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2011 卷标:19(9) 页码:2927-2938

海关参考信息

• 2905110000-甲醇
  2912110000-甲醛
  2908199090-其他酚的卤化衍生物
  2924199090-其他无环酰胺
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管