CAS: 81525-10-2; 6-Carbamimidoylnaphthalen-2-Yl 4-Guanidinobenzoate

• 英文名称6-Carbamimidoylnaphthalen-2-Yl 4-Guanidinobenzoate
• 中文名称萘莫司他
• IUPAC名称6-carbamimidoylnaphthalen-2-yl 4-guanidinobenzoate
• 其它别名6-Amidino-2-naphthyl4-guanidinobenzoate; Nafamostat; Nafamstat
• CAS编号81525-10-2
• MFCD编号:MFCD00866067
• FDA UNII编号:Y25LQ0H97D
• 分子式:C19H17N5O2
• 分子量:347.38
• 产品CID: 1808390
• 同类组份化合物CAS81525-10-2 (free base)82956-11-4 (mesylate)80251-32-7 (HCl)
• 产品分类生物化工 → 抑制剂 → 免疫抑制剂

• 相似结构搜索
• 产品信息参考;;
• InChIKey: MQQNFDZXWVTQEH-UHFFFAOYSA-N
• InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)…
• 计算化学: 氢键受体数4.0氢键供体数4.0可旋转键数5.0

物理性质

• 沸点637.2±65.0 °C at 760 mmHg
• 闪点339.1±34.3 °C
• 密度1.4±0.1 g/cm3
• pKa:11.30±0.30(预测)
• PSA:138.07
• LogP:1.93
• 折射率1.694
• 蒸汽压0.0±1.9 mmHg at 25°C
• 溶解性Soluble In DMSO
• 外观形态粉末
• 储存条件在惰性气体(氮气或氩气)下 2–8 °C
• 产品应用萘莫司他(81525-10-2)的用途:1.非肽类合成蛋白酶抑制剂,有广谱强力的酶抑制作用.2.用于急性胰腺炎的治疗.3.可改善急性胰腺炎,慢性胰腺炎的急性恶化,外伤后胰腺炎等的急性症状.
• 性质描述萘莫司他(81525-10-2)的化学性质:甲磺酸萘莫司他:从乙醚结晶,熔点217～220°C.从水得无色粉末,熔点260°C(分解).无臭,味苦.较易溶于水,难溶于甲醇,乙醇或二甲基甲酰胺,几不溶于乙醚,氯仿或丙酮.急性毒性LD50雄,雌小鼠,雄,雌大鼠(mg/kg):4600,5190,3050,2750口服;6180,55650,9200,9750皮下注射;269,350,162,150腹腔注射;24.4,31.1,16.4,17.0静脉注射.

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H335-
• 防范说明P261-P305+P351+P338-
• 安全声明H303 may be harmful by ingestion +h313 may be harmful by skin contact +h2413 may be harmful by inhalation

合成工艺路线路线简述

• 1184-90-3 + 150-13-0 = 81525-10-2 + 75-75-2
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Water; 0.5 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Methanol; 0.5 H,Rt2.1 Reagents: Cyanuric Chloride,4-Methylmorpholine; 4 H,60 °C2.2 Overnight,Rt2.3 Reagents: Sodium Bicarbonate Solvents: Water; 10 Min,Rt2.4 Solvents: Methanol
  标题:Tct-Mediated Process For The Preparation Of Nafamostat Mesylate And Camostat Mesylate
  作者:Ahmed,Riyaz; Et Al
  参考文献:Chemistryselect 日期:2023 卷标:8(18)]
  
  150-13-0 + 420-04-2 = 81525-10-2 + 75-75-2
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water1.2 -2.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)Pyridine Solvents: Pyridine; 5 H,Rt2.2 Reagents: Sodium Bicarbonate Solvents: Water2.3 Solvents: Methanol; Cooled; 0.5 H,Rt2.4 Reagents: Diethyl Ether
  标题:Synthesis Of 4-[(Aminoiminomethyl)Amino]Benzoic Acid 6-(Aminoiminomethyl)-2-Naphthalenyl Ester,Methanesulfonate (1:2) (Nafamostat Mesilate)
  作者:Chen,Baoquan; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2007 卷标:38(8) 页码:545-546]
  
  52927-22-7 + 75-75-2 = 81525-10-2 + 75-75-2
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; Overnight,Rt1.2 Reagents: Ammonia Solvents: Methanol; 3 H,50 °C1.3 Reagents: Sodium Bicarbonate Solvents: Water; 15 Min,Rt1.4 Solvents: Methanol2.1 Reagents: Cyanuric Chloride,4-Methylmorpholine; 4 H,60 °C2.2 Overnight,Rt2.3 Reagents: Sodium Bicarbonate Solvents: Water; 10 Min,Rt2.4 Solvents: Methanol
  标题:Tct-Mediated Process For The Preparation Of Nafamostat Mesylate And Camostat Mesylate
  作者:Ahmed,Riyaz; Et Al
  参考文献:Chemistryselect 日期:2023 卷标:8(18)]
  
  15231-91-1 = 81525-10-2 + 75-75-2
  反应条件:1.1 Solvents: Dimethylformamide; 5 - 6 H,150 °C; 150 °C -> Rt1.2 Reagents: Sodium Hydroxide; 5 Min,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 32.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; Overnight,Rt2.2 Reagents: Ammonia Solvents: Methanol; 3 H,50 °C2.3 Reagents: Sodium Bicarbonate Solvents: Water; 15 Min,Rt2.4 Solvents: Methanol3.1 Reagents: Cyanuric Chloride,4-Methylmorpholine; 4 H,60 °C3.2 Overnight,Rt3.3 Reagents: Sodium Bicarbonate Solvents: Water; 10 Min,Rt3.4 Solvents: Methanol
  标题:Tct-Mediated Process For The Preparation Of Nafamostat Mesylate And Camostat Mesylate
  作者:Ahmed,Riyaz; Et Al
  参考文献:Chemistryselect 日期:2023 卷标:8(18)]
  
  58200-88-7 + 56-91-7 + 75-75-2 = 81525-10-2
  反应条件:1.1 Reagents: Dicyclohexylcarbodiimide Solvents: Pyridine
  标题:Synthesis And Structure-Activity Study Of Protease Inhibitors. Iv. Amidinonaphthols And Related Acyl Derivatives
  作者:Aoyama,Takuo; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1985 卷标:33(4) 页码:1458-71]
  
  16060-65-4 = 81525-10-2 [标题:Reaction Conditions
  标题:Amidine Compounds And Anticomplement Agent Comprising Them
  参考文献:European Patent Organization]
  
  58200-88-7 + 42823-46-1 + 75-75-2 = 81525-10-2 + 75-75-2
  反应条件:1.1 Reagents: Cyanuric Chloride,4-Methylmorpholine; 4 H,60 °C1.2 Overnight,Rt1.3 Reagents: Sodium Bicarbonate Solvents: Water; 10 Min,Rt1.4 Solvents: Methanol
  标题:Tct-Mediated Process For The Preparation Of Nafamostat Mesylate And Camostat Mesylate
  作者:Ahmed,Riyaz; Et Al
  参考文献:Chemistryselect 日期:2023 卷标:8(18)]
  
  15231-91-1 = 81525-10-2 + 75-75-2
  反应条件:1.1 Solvents: Dimethylformamide2.1 Reagents: Hydrochloric Acid Solvents: Ethanol; Cooled; Overnight,Rt2.2 Reagents: Ammonia Solvents: Ethanol; 3 H,50 °C2.3 Reagents: Sodium Bicarbonate Solvents: Water2.4 Solvents: Methanol; Cooled; 0.5 H,Rt2.5 Reagents: Diethyl Ether3.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)Pyridine Solvents: Pyridine; 5 H,Rt3.2 Reagents: Sodium Bicarbonate Solvents: Water3.3 Solvents: Methanol; Cooled; 0.5 H,Rt3.4 Reagents: Diethyl Ether
  标题:Synthesis Of 4-[(Aminoiminomethyl)Amino]Benzoic Acid 6-(Aminoiminomethyl)-2-Naphthalenyl Ester,Methanesulfonate (1:2) (Nafamostat Mesilate)
  作者:Chen,Baoquan; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2007 卷标:38(8) 页码:545-546]
  
  1758-73-2 = 81525-10-2 + 75-75-2
  反应条件:1.1 Solvents: Peracetic Acid; 0.5 H,0 °C; 0 °C -> Rt; Overnight,Rt2.1 Reagents: Potassium Carbonate Solvents: Water; 0.5 H,Rt2.2 Reagents: Hydrochloric Acid Solvents: Methanol; 0.5 H,Rt3.1 Reagents: Cyanuric Chloride,4-Methylmorpholine; 4 H,60 °C3.2 Overnight,Rt3.3 Reagents: Sodium Bicarbonate Solvents: Water; 10 Min,Rt3.4 Solvents: Methanol
  标题:Tct-Mediated Process For The Preparation Of Nafamostat Mesylate And Camostat Mesylate
  作者:Ahmed,Riyaz; Et Al
  参考文献:Chemistryselect 日期:2023 卷标:8(18)]
  
  135-19-3 = 81525-10-2 + 75-75-2
  反应条件:1.1 Reagents: Bromine Solvents: Acetic Acid; 15 - 30 Min,Rt1.2 Solvents: Water; 3 - 4 H,120 °C; 120 °C -> 100 °C1.3 Reagents: Tin; 3 H,Reflux2.1 Solvents: Dimethylformamide; 5 - 6 H,150 °C; 150 °C -> Rt2.2 Reagents: Sodium Hydroxide; 5 Min,Rt2.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 33.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; Overnight,Rt3.2 Reagents: Ammonia Solvents: Methanol; 3 H,50 °C3.3 Reagents: Sodium Bicarbonate Solvents: Water; 15 Min,Rt3.4 Solvents: Methanol4.1 Reagents: Cyanuric Chloride,4-Methylmorpholine; 4 H,60 °C4.2 Overnight,Rt4.3 Reagents: Sodium Bicarbonate Solvents: Water; 10 Min,Rt4.4 Solvents: Methanol
  标题:Tct-Mediated Process For The Preparation Of Nafamostat Mesylate And Camostat Mesylate
  作者:Ahmed,Riyaz; Et Al
  参考文献:Chemistryselect 日期:2023 卷标:8(18)]
  
  = 81525-10-2 + 75-75-2
  反应条件:1.1 Reagents: Hydrogen Peroxide Solvents: Water; < 10 °C; 30 Min,0 °C2.1 Solvents: Peracetic Acid; 0.5 H,0 °C; 0 °C -> Rt; Overnight,Rt3.1 Reagents: Potassium Carbonate Solvents: Water; 0.5 H,Rt3.2 Reagents: Hydrochloric Acid Solvents: Methanol; 0.5 H,Rt4.1 Reagents: Cyanuric Chloride,4-Methylmorpholine; 4 H,60 °C4.2 Overnight,Rt4.3 Reagents: Sodium Bicarbonate Solvents: Water; 10 Min,Rt4.4 Solvents: Methanol
  标题:Tct-Mediated Process For The Preparation Of Nafamostat Mesylate And Camostat Mesylate
  作者:Ahmed,Riyaz; Et Al
  参考文献:Chemistryselect 日期:2023 卷标:8(18)]
  
  344349-96-8 + 60131-35-3 = 81525-10-2 [标题:Reaction Conditions
  标题:Amidine Compounds And Anticomplement Agent Comprising Them
  参考文献:European Patent Organization]
  
  58200-88-7 + 42823-46-1 + 75-75-2 = 81525-10-2
  反应条件:1.1 Reagents: Dicyclohexylcarbodiimide Solvents: Pyridine
  标题:Synthesis And Structure-Activity Study Of Protease Inhibitors. Iv. Amidinonaphthols And Related Acyl Derivatives
  作者:Aoyama,Takuo; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1985 卷标:33(4) 页码:1458-71

海关参考信息

• 2902902000-精萘
  2905110000-甲醇
  2906210000-苄醇
  2912110000-甲醛
• 💡 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

专利信息

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