CAS: 79999-39-6; (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(6-Amino-2-Chloro-9H-Purin-9-yl)Tetrahydrofuran-3,4-Diyl Diacetate

该化合物是经改良的腺素核素衍生物,其特点是,在2英尺,3英尺和5英尺的方位上,有三组乙基糖,附于氢氧基的丙基糖组,在基的2位置有氯原子,该化合物通常用于生物化学研究和合成化学,因为它能够模仿天然核素,同时提供独特的再活性和稳定性特性.乙基乙基氨可以增加脂性,促进细胞吸收,而氯化能影响生物活动以及与核酸目标的相互作用.因此,2'3'5'-Tri-O-乙基-2-氯代苯辛经常用于与核核糖类类似,抗病毒药物研制和核酸功能探索有关的研究,其化学文摘社编号79999-39-6可以精确识别化学数据库和文献.总的来说,该复合物在医学化学化学和分子生物学领域是一个有价值的工具.

英文名称(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(6-Amino-2-Chloro-9H-Purin-9-yl)Tetrahydrofuran-3,4-Diyl Diacetate
中文名称2',3',5'-三-O-乙酰基-2-氯腺苷
IUPAC名称(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-amino-2-chloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate
其它别名2-Chloro-Adenosine 2',3',5'-Triacetate; 2',3',5'-Tri-O-Acetyl-2-Chloroadenosine; 2-Chloro-6-Amino-9-(2',3',5'-Tri-O-Acetyl- -D-Ribofuranosyl)Purine; 6-Amino-2-Chloro-9-(2’,3’,5’-Tri-O-Acetyl--D-Ribofuranosyl)Purine; Regadenoson Impurity 13; Adenosine, 2-Chloro-, 2',3',5'-Triacetate; 2-Chloro-6-Amino-9-(2’,3’,5’-Tri-O-Acetyl-β-D-Ribofuranosyl)Purine; 2-Chloro-6-Amino-9-(2',3',5'-Tri-O-Acetyl-B-D-Ribofuranosyl)Purine
CAS编号79999-39-6
MFCD编号:MFCD09953421
分子式:C16H18ClN5O7分子量:427.8
产品CID: 1793780

相似结构搜索
InChIKey: IMTFOTCIQPKKSP-SDBHATRESA-N
IMTFOTCIQPKKSP-SDBHATRESA-N
计算化学: 氢键受体数11.0氢键供体数1.0可旋转键数8.0

物理性质

熔点67-75°C
沸点67-75 °C
密度1.70±0.1 g/cm3 (20 ºC 760 Torr),
PSA:157.75
LogP:0.967
溶解性Chloroform (Slightly), Methanol (Slightly)
外观形态类白色固体
储存条件-20°C 冷藏

MSDS等安全信息

警示词warning
危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
安全声明H303+H313+H333

上下游产品

(2R,3R,4R,5R)-4-(acetyloxy)-2-[(acetyloxy)methyl]-5-(2,6-dichloro-9H-purin-9-yl)tetrahydro-3-furanyl acetate 2-amino-6-chloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)purine G 2',3',5'-tri-O-acetyl-guanosine 2-hydrazinoadenosine (2R,3R,4S,5R)-2-(6-Amino-2-{N'-[1-cyclohexyl-meth-(Z)-ylidene]-hydrazino}-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol 2-amino-2'-deoxyadenosine 9-(β-D-ribofuranosyl)-2,6-diamino-8-bromopurine

合成工艺路线路线简述

146-77-0 = 79999-39-6
反应条件:1.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Acetonitrile; Rt; Rt -> 50 °C; 30 Min,50 °C1.2 Reagents: Methanol; 50 °C
标题:Efficient Syntheses Of 2-Chloro-2'-Deoxyadenosine (Cladribine) From 2-Chloroadenosine
作者:Xu,Shao Hong
参考文献:Advanced Materials Research (Durnten-Zurich 日期:2012 卷标:535 页码:535-537]

3056-18-6 = 79999-39-6
反应条件:1.1 Reagents: Ammonia Solvents: Tetrahydrofuran; 6 - 8 H,15 - 20 °C
标题:Synthesis Of Clofarabine
作者:Chen,Yunhua; Yang,Weiqiang; Bai,Hua
参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2011 卷标:42(6) 页码:404-407]

146-77-0 = 79999-39-6
反应条件:1.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Acetonitrile; Rt; Rt -> 50 °C; 3 - 5 Min,50 °C; 30 Min,50 °C1.2 Solvents: Methanol
标题:A New Synthesis Of 2-Chloro-2'-Deoxyadenosine (Cladribine),Cda)
作者:Xu,Shaohong; Yao,Peng; Chen,Gairong; Wang,Hui
参考文献:Nucleosides 日期:2011 卷标:30(5) 页码:353-359