4105-39-9
中文名称
2-methylthioadenosine
英文名称
2-methylthioadenosine
CAS
4105-39-9
分子式
C11H15N5O4S
分子量
313.33
MOL 文件
4105-39-9.mol
4105-39-9 结构式
基本信息
中文别名
玉米素杂质玉米素杂质1
2-甲基硫腺苷
英文别名
Zeatin ImpurityZeatin Impurity 1
Adenosine, 2-(methylthio)-
2-Methylthioadenosine ( 2-MeS-Ado )
2-[6-AMINO-2-(METHYLSULFANYL)PURIN-9-YL]-5-(HYDROXYMETHYL)OXOLANE-3,4-DIOL
2-Methylthioadenosine ADA inhibitor,platelet ADP receptor (made from GL101374)
(2R,3R,4S,5R)-2-(6-Amino-2-(methylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
物理化学性质
熔点225 °C
沸点747.6±70.0 °C(Predicted)
密度1.98±0.1 g/cm3(Predicted)
酸度系数(pKa)13.08±0.70(Predicted)
InChIInChI=1S/C11H15N5O4S/c1-21-11-14-8(12)5-9(15-11)16(3-13-5)10-7(19)6(18)4(2-17)20-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1
InChIKeyAJNDEAZTAFKOOO-KQYNXXCUSA-N
SMILESOC[C@H]1O[C@@H](N2C3C(=C(N=C(SC)N=3)N)N=C2)[C@H](O)[C@@H]1O