CAS: 82410-32-0; 2-Amino-9-(((1,3-Dihydroxypropan-2-yl)Oxy)Methyl)-1H-Purin-6(9H)-One

• 英文名称2-Amino-9-(((1,3-Dihydroxypropan-2-yl)Oxy)Methyl)-1H-Purin-6(9H)-One
• 中文名称更昔洛韦
• IUPAC名称2-amino-9-(((1,3-dihydroxypropan-2-yl)oxy)methyl)-1,9-dihydro-6H-purin-6-one
• 其它别名2-Amino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6H-purin-6-one; 9-((2-Hydroxy-1-(hydroxymethyl)ethoxy)-methyl)guanine; 9-(1,3-Dihydroxy-2-propoxymethyl)guanine; 2'-NDG; 2'-Nor-2'-deo
• CAS编号82410-32-0
• MFCD编号:MFCD00870588
• EINECS号:627-054-3
• FDA UNII编号:P9G3CKZ4P5
• 分子式:C9H13N5O4
• 分子量:255.23
• 产品CID: 1814848
• 同类组份化合物CAS82410-32-0 (free base)1359968-33-4 (hydrate)84245-13-6 (x sodium)107910-75-8 (sodium)352346-23-7 (potassium)
• 产品分类有机原料→分子砌块→芳杂环类化合物→咪唑类化合物

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: IRSCQMHQWWYFCW-UHFFFAOYSA-N
• InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)…
• 计算化学: 氢键受体数8.0氢键供体数4.0可旋转键数5.0

相似化合物

物理性质

• 熔点250°C
• 沸点657.0±65.0 °C at 760 mmHg
• 闪点351.1±34.3 °C
• 密度1.8±0.1 g/cm3
• pKa:9.33±0.20(预测)
• PSA:139.28
• LogP:-1.9709
• 折射率1.761
• 蒸汽压0.0±2.1 mmHg at 25°C
• 溶解性0.1 M Hcl: 10 mg/mL
• 敏感性按规定使用和贮存的不会分解，避氧化物
• 外观形态白色粉末
• 储存条件2-8°C
• 产品应用抗病毒药.
• 性质描述更昔洛韦 (82410-32-0)的性状:从甲醇结晶,熔点250°C(分解);也有报道从水中得到一水合物,熔点248～249°C(分解);从水中结晶,熔点＞300°C.UV最大吸收(甲醇):254nm(ε12880).在水中25°C的溶解度:pH=7时为4.3mg/mL.急性毒性LD50小鼠(g/kg):1～2腹腔注射.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08;
  注释: Health hazard
• 危险类别生殖毒性 类别1B
  Muta. 1B
  生殖毒性 类别2
  致癌性 类别2
• 警示词Danger(危险)
• 危险描述H360 |可能损害生育能力或胎儿.
  H340 |可能导致遗传缺陷.
  H361fd |怀疑会影响生育能力. 怀疑对胎儿造成损害.
  H351 |怀疑致癌.
  H361 |怀疑对生育能力或胎儿造成损害.
• 防范说明P280-P405-P501
• UN编号UN1230 - class 3 - PG 2 - Methanol, solution
• 危险品标志T
• 安全声明53-36/37/39-45
• 危险类别码46-60-61
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 Ganciclovir 主要起始原料 N-[9-[[2-(Acetyloxy)-1-[(Acetyloxy)Methyl]Ethoxy]Methyl]-6,9-Dihydro-6-Oxo-1H-Purin-2-Yl]Acetamide
• 3376-59-8 = 82410-32-0 + 86357-09-7
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: 1,2-Dichloroethane2.1 Reagents: Hexamethyldisilazane,Ammonium Sulfate2.2 Reagents: Tetrabutylammonium Iodide Solvents: 1,2-Dichloroethane3.1 Reagents: Sodium Hydroxide Solvents: Water
  标题:Acyclic Nucleosides Containing Two Heterocyclic Bases
  作者:Ogilvie,Kelvin K.; Et Al
  参考文献:Nucleosides & Nucleotides 日期:1986 卷标:5(2) 页码:169-83]
  
  86357-14-4 = 82410-32-0
  反应条件:1.1 Reagents: Ammonia Solvents: Methanol; 24 H,Rt
  标题:Synthesis Of 8-[18F]Fluoroguanine Derivatives: In Vivo Probes For Imaging Gene Expression With Positron Emission Tomography
  作者:Namavari,M.; Et Al
  参考文献:Nuclear Medicine And Biology 日期:2000 卷标:27(2) 页码:157-162]
  
  86357-14-4 = 82410-32-0
  反应条件:1.1 Reagents: Ammonium Hydroxide
  标题:A Facile Synthesis Of 9-(1,3-Dihydroxy-2-Propoxymethyl)Guanine (Ganciclovir) From Guanosine
  作者:Boryski,Jerzy; Et Al
  参考文献:Synthesis 日期:1999 卷标:(4) 页码:625-628]
  
  84245-12-5 = 82410-32-0 [标题:Reaction Conditions
  标题:1-Monophosphate Esters,1,3-Bisphosphate Esters And Cyclic Phosphate Esters Of 9-(1,3-Dihydroxy-2-Propoxymethyl)Guanine As Antiviral Agents
  参考文献:European Patent Organization]
  
  82410-31-9 = 82410-32-0
  反应条件:1.1 Reagents: Cyclohexene Catalysts: Palladium Chloride Solvents: Ethanol1.2 Reagents: Sodium Bicarbonate Solvents: Dimethylformamide
  标题:Catalytic Effect Of Tetrabutylammonium Fluoride In The Preparation Of Secoribonucleosides
  作者:Hakimelahi,Gholam H.; Et Al
  参考文献:Helvetica Chimica Acta 日期:1989 卷标:72(7) 页码:1495-500]
  
  82410-31-9 = 82410-32-0
  反应条件:1.1 Reagents: Cyclohexene Catalysts: Palladium Solvents: Ethanol; 24 H,Reflux
  标题:An Improved Total Synthesis Of Pet Hsv-Tk Gene Expression Imaging Agent 9-[(3-[18F]Fluoro-1-Hydroxy-2-Propoxy)Methyl]Guanine ([18F]Fhpg)
  作者:Wang,Ji-Quan; Et Al
  参考文献:Synthetic Communications 日期:2004 卷标:34(5) 页码:917-932]
  
  82410-31-9 = 82410-32-0
  反应条件:1.1 Reagents: Cyclohexene Catalysts: Palladium Solvents: Ethanol
  标题:Novel Radiosynthesis Of Pet Hsv-Tk Gene Reporter Probes [18F]Fhpg And [18F]Fhbg Employing Dual Sep-Pak Spe Techniques
  作者:Wang,Ji-Quan; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2003 卷标:13(22) 页码:3933-3938]
  
  = 82410-32-0
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 4 H,Rt1.2 Reagents: Sodium Borohydride Solvents: Methanol; 10 - 15 °C; 2 H,25 °C
  标题:A Facile Synthesis Of Potent Antiherpes Drug Substance,Ganciclovir,9-[(1,3-Dihydroxy-2-Propoxy)Methyl]Guanine,Using A New Masked Glycerol Derivative
  作者:Prasada Raju,V. V. N. K. V.; Et Al
  参考文献:Arkivoc (Gainesville 日期:2009 卷标:(12) 页码:296-301]
  
  = 82410-32-0 + 86357-09-7
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water
  标题:Acyclic Nucleosides Containing Two Heterocyclic Bases
  作者:Ogilvie,Kelvin K.; Et Al
  参考文献:Nucleosides & Nucleotides 日期:1986 卷标:5(2) 页码:169-83]
  
  10310-21-1 = 82410-32-0 + 86357-09-7
  反应条件:1.1 Reagents: Hexamethyldisilazane,Ammonium Sulfate1.2 Reagents: Tetrabutylammonium Iodide Solvents: 1,2-Dichloroethane2.1 Reagents: Sodium Hydroxide Solvents: Water
  标题:Acyclic Nucleosides Containing Two Heterocyclic Bases
  作者:Ogilvie,Kelvin K.; Et Al
  参考文献:Nucleosides & Nucleotides 日期:1986 卷标:5(2) 页码:169-83]
  
  84245-12-5 = 82410-32-0
  反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Methanol,Water; 17 H,Rt
  标题:A Novel Approach To The Synthesis Of The Purine Anti-Viral Agent Gancyclovir
  作者:Sariri,Reyhaneh; Et Al
  参考文献:Indian Journal Of Chemistry 日期:2003 卷标:(3) 页码:651-654]
  
  84245-12-5 = 82410-32-0
  反应条件:1.1 Reagents: Ammonium Hydroxide
  标题:9-(1,3-Dihydroxy-2-Propoxymethyl)Guanine: A New Potent And Selective Antiherpes Agent
  作者:Martin,John C.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1983 卷标:26(5) 页码:759-61]
  
  441349-85-5 = 82410-32-0
  反应条件:1.1 Reagents: Methylamine,Potassium Acetate Catalysts: Tetrabutylammonium Chloride Solvents: Dimethylformamide,Water
  标题:Intermediate Of Anti-Viral Medicine,Their Preparation And Use
  参考文献:China]
  
  100675-29-4 = 82410-32-0
  反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol
  标题:Synthesis Of 9-[(1,3-Dihydroxy-2-Propoxy)Methyl]Guanine (Dhpg) Via Condensation Of N2,9-Diacetylguanine With A Sulfinylmethyl Ether
  作者:Mcgee,Danny P. C.; Et Al
  参考文献:Synthetic Communications 日期:1988 卷标:18(14) 页码:1651-60]
  
  100675-29-4 = 82410-32-0 [标题:Reaction Conditions
  标题:2,6-Substituted-9-(1,3-Dihydroxy-2-Propoxymethyl)Purines And Certain Derivatives
  参考文献:European Patent Organization]
  
  30747-23-0 + 84245-11-4 = 82410-32-0
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid1.2 Reagents: Hydrogen Catalysts: Palladium Oxide (Pdo) Solvents: Ethanol,Water1.3 Reagents: Dimethylamine Solvents: Water
  标题:Preparation Of Guanine Derivatives
  参考文献:Poland]
  
  6972-79-8 + 73-40-5 = 82410-32-0
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: 1,2-Dichloroethane; 0 °C1.2 Reagents: Hexamethyldisilazane,Ammonium Sulfate1.3 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran
  标题:Novel Radiosynthesis Of Pet Hsv-Tk Gene Reporter Probes [18F]Fhpg And [18F]Fhbg Employing Dual Sep-Pak Spe Techniques
  作者:Wang,Ji-Quan; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2003 卷标:13(22) 页码:3933-3938]
  
  = 82410-32-0
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 1 H,115 °C
  标题:Efficient Synthesis Of 9-(4-[18F]Fluoro-3-Hydroxymethylbutyl)Guanine ([18F]Fhbg) And 9-[(3-[18F]Fluoro-1-Hydroxy-2-Propoxy)Methyl]Guanine ([18F]Fhpg)
  作者:Liu,Jie; Et Al
  参考文献:Journal Of Fluorine Chemistry 日期:2017 卷标:201 页码:24-42]
  
  89281-73-2 + 3056-33-5 = 82410-32-0
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid Solvents: Xylene2.1 Reagents: Methylamine Solvents: Methanol,Water3.1 Reagents: Methylamine,Potassium Acetate Catalysts: Tetrabutylammonium Chloride Solvents: Dimethylformamide,Water
  标题:Intermediate Of Anti-Viral Medicine,Their Preparation And Use
  参考文献:China]
  
  441349-84-4 = 82410-32-0
  反应条件:1.1 Reagents: Methylamine Solvents: Methanol,Water2.1 Reagents: Methylamine,Potassium Acetate Catalysts: Tetrabutylammonium Chloride Solvents: Dimethylformamide,Water
  标题:Intermediate Of Anti-Viral Medicine,Their Preparation And Use
  参考文献:China]
  
  86629-51-8 = 82410-32-0
  反应条件:1.1 Reagents: Ammonia Solvents: Methanol
  标题:Efficient Synthesis Of 1,2-Seco And 1,2-Seco-2-Nor Pyrimidine And Purine Nucleosides
  作者:Azymah,Muhammad; Et Al
  参考文献:Tetrahedron Letters 日期:1989 卷标:30(45) 页码:6165-8]
  
  = 82410-32-0 [标题:Reaction Conditions
  标题:Antiviral Compounds
  参考文献:European Patent Organization

海关参考信息

• 2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2905399001-1,3-丙二醇
• 💡 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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