Name: Thio-ITP
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323728
Cas No:27652-34-2
常用名:Thio-ITP
别名:Thio-ITP, 6-Thio-ITP, 6-Thioinosine 5′-triphosphate, 6-Mercaptopurine-riboside-5'-triphosphate
别名:Thio-ITP, 6-Thio-ITP, 6-Thioinosine 5′-triphosphate, 6-Mercaptopurine-riboside-5'-triphosphate
IUPAC:({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
IUPAC:({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
InChI key:GQNRDWAOABGWGP-KQYNXXCUSA-N

分子式:C10H15N4O13P3S
分子量:524.23
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]cnc2=S
SMILES:O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]cnc2=S

Thio-ITP, also known as 6-Thioinosine 5'-triphosphate, is a competitive inhibitor of RNA polymerase activity. It exhibits a strong apparent affinity towards the polymerases, with Ki values of 40.9 μM for RNA polymerase I and 38.0 μM for RNA polymerase II.

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