Name: ε-NAADP+ sodium
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912348
Cas No:
常用名:ε-NAADP+ sodium
别名:β-Nicotinic Acid-1, Nicotinic Acid adenine dinucleotide phosphate, N6-Ethenoadenine dinucleotide phosphate, Etheno-NAADP
别名:β-Nicotinic Acid-1, Nicotinic Acid adenine dinucleotide phosphate, N6-Ethenoadenine dinucleotide phosphate, Etheno-NAADP
IUPAC:tetrasodium 3-carboxy-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-({[({[(2R,3R,4R,5R)-3-hydroxy-5-{3H-imidazo[2,1-f]purin-3-yl}-4-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]oxy}methyl)oxolan-2-yl]-1lambda5-pyridin-1-ylium
IUPAC:tetrasodium 3-carboxy-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-({[({[(2R,3R,4R,5R)-3-hydroxy-5-{3H-imidazo[2,1-f]purin-3-yl}-4-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]oxy}methyl)oxolan-2-yl]-1lambda5-pyridin-1-ylium
InChI key:InChIKey=MWNWISSNXGEGCJ-OGUWOOATSA-K

分子式:C23H24N6Na4O18P3
分子量:857.349
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].[Na+].[Na+].O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c2ncn2ccnc32)O[C@H]([C@@H]1O)[n+]1cccc(c1)C(O)=O
SMILES:[Na+].[Na+].[Na+].[Na+].O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c2ncn2ccnc32)O[C@H]([C@@H]1O)[n+]1cccc(c1)C(O)=O

ε-NAADP+是钙动员诱导剂NAADP的荧光衍生物。在海胆卵细胞匀浆中诱导钙释放(EC50 = 5 µM)。ε-NAADP+在275 nm和410 nm分别显示激发/发射峰值，且在DMSO中的相对发射增加了三倍。

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