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HRID1429680

反应详情

EQUATION

反应方程式

HRID 1429680 的结构方程式

REACTANTS

反应物

4
反应SMILES：NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1
HCID5884

未命名化合物

反应SMILES：C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12
HCID5953

未命名化合物

反应SMILES：CCc1cccc2cc(C(O)CNC(C)(C)C)oc12
HCID71733

Bufuralol

C16H23NO2

反应SMILES：COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3
HCID5360696

Dextromethorphan

C18H25NO

PRODUCTS

产物

2
反应SMILES：NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
HCID5886

Adenosine 5′-(trihydrogen diphosphate), 2′-(dihydrogen phosphate), P′→5′-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium

C21H29N7O17P3+

反应SMILES：O=P(O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
HCID439427

beta-D-Glucopyranose 6-phosphate

C6H13O9P

PROCEDURE

实验过程

The control inhibitor (quinidine) and marker substrate (dextromethorphan or bufuralol) were transferred to the incubation vessels (60 μL aliquots each). After a pre-incubation period at 37° C., the reactions were initiated by the addition of a 40 μL aliquot of NADPH regenerating system (BD Gentest). A 40 μL aliquot (diluted 6:19 with incubation buffer) provided final concentrations of 1.3 mM NADP+, 3.3 mM glucose-6-phosphate and 0.4 U/mL glucose-6-phosphate dehydrogenase. Incubation times were 12 minutes for both dextromethorphan and bufuralol. Reactions were terminated by the direct addition of acetonitrile (160 μL) to the incubation mix followed by transfer to a pooling plate containing additional acetonitrile (400 μL).

WORKUP

后处理

  1. additionA 40 μL aliquot (diluted 6:19 with incubation buffer)