CAS: 88110-89-8; Mono-O-Acetylganciclovir

• 英文名称Mono-O-Acetylganciclovir
• 中文名称9-[[2-(乙酰氧基)-1-(羟基甲基)乙氧基]甲基]-2-氨基-1,9-二氢-6H-嘌呤-6-酮
• IUPAC名称2-((2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy)-3-hydroxypropyl acetate
• 其它别名9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro- 6H-Purin-6-on; Ganciclovir Mono-O-acetate; 9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro- 6H-Purin-6-one
• CAS编号88110-89-8
• MFCD编号:MFCD09840659
• EINECS号:680-297-7
• FDA UNII编号:VOP6XHY7OL
• 分子式:C11H15N5O5
• 分子量:297.27
• 产品CID: 1890230
• 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
• InChIKey: YKLKCCHLLFMWQE-UHFFFAOYSA-N
• InChI=1S/C11H15N5O5/c1-6(18)20-3-7(2-17)21-5-16-4-13-8-9(16)14-11(12)15-10(8)19/h4,7,17H,2-3,5H2,1H3,(H3,12,14,15,19)…
• 计算化学: 氢键受体数9.0氢键供体数3.0可旋转键数6.0

相似化合物

物理性质

• 熔点194-197°C
• 沸点607.8°C at 760 mmHg
• 闪点321.4°C
• 密度1.7±0.1 g/cm3
• pKa:9.32±0.20(预测)
• PSA:145.35
• LogP:-1.4001
• 折射率1.692
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 外观形态白色固体
• 储存条件请置于阴暗处, 惰性气氛中,2-8°C
• 产品应用该化合物是抗病毒剂甘基洛维的合成辅助药物,作为2'DEOXYGUANOSINE的类似物,显著降低了甘基略维尔的毒性.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08;
  注释: Health hazard
• 危险类别致癌性 类别2
  Muta. 1B
  生殖毒性 类别1A
• 警示词Danger(危险)
• 危险描述H351 |怀疑致癌.
  H340 |可能导致遗传缺陷.
  H360 |可能损害生育能力或胎儿.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 安全声明H303+H313+H333

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 Mono-O-Acetate 主要起始原料 Vinyl Acetate And Ganciclovir
• 108436-61-9 = 88110-89-8
  反应条件:1.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Dihydroxide Solvents: Methanol,Water; 3 H,Rt
  标题:Novel Synthesis Of Process Related Impurities Of Valganciclovir Hydrochloride
  作者:Napoleon,Ayyakannu Arumugam; Angajala,Gangadhara; Kumar,Rakesh
  参考文献:International Journal Of Pharmacy And Pharmaceutical Sciences 日期:2016 卷标:8(4) 页码:29-31]
  
  1445-45-0 + 82410-32-0 = 88110-89-8
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dimethylformamide; 4 D,Rt1.2 Reagents: Water; Overnight,Rt
  标题:Prodrug Approach For Posterior Eye Drug Delivery: Synthesis Of Novel Ganciclovir Prodrugs And In Vitro Screening With Cassette Dosing
  作者:Heikkinen,Emma M.; Ruponen,Marika; Jasper,Lisa-Marie; Leppanen,Jukka; Hellinen,Laura; Et Al
  参考文献:Molecular Pharmaceutics 日期:2020 卷标:17(6) 页码:1945-1953]
  
  86357-14-4 = 88110-89-8
  反应条件:1.1 Reagents: Methylamine Solvents: Reline; 30 H,15 - 20 °C
  标题:Choline Chloride-Urea: An Efficient,Green Media For Partial Hydrolysis Of Di- And Tri-Protected Ganciclovir And Selective O-Acylation In The Synthesis Of Antiviral Drug Valganciclovir
  作者:Goswami-Giri,Anita; Dhawle,Pranaya P.
  参考文献:World Journal Of Pharmaceutical Research 日期:2018 卷标:7(7) 页码:1-11]
  
  1429306-17-1 = 88110-89-8
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 10 Min,15 °C; 3 H
  标题:Synthesis Of Valganciclovir Hydrochloride Congeners
  作者:Babu,K. Srihari; Rao,M. Raghavendar; Goverdhan,G.; Srinivas,P.; Reddy,P. Pratap; Et Al
  参考文献:Synthetic Communications 日期:2013 卷标:43(13) 页码:1751-1758]
  
  82410-32-0 = 88110-89-8
  反应条件:1.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dimethyl Sulfoxide; 8 H,Rt
  标题:Synthesis Of Valganciclovir Hydrochloride And Its Related Substances
  作者:Xu,Tao; Qu,Boyi; Hai,Li; Wu,Yong
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2014 卷标:45(5) 页码:409-411

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

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