Name: Edoxaban impurity 4
Rating: 5 (10 reviews)

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HIT ID:HIT214321522
Cas No:480452-36-6
常用名:Edoxaban impurity 4
IUPAC:tert-butyl N-[(1R,2S,5S)-2-{[(5-chloropyridin-2-yl)carbamoyl]formamido}-5-(dimethylcarbamoyl)cyclohexyl]carbamate
IUPAC:tert-butyl N-[(1R,2S,5S)-2-{[(5-chloropyridin-2-yl)carbamoyl]formamido}-5-(dimethylcarbamoyl)cyclohexyl]carbamate
InChI key:YJDLJNAWLBVIRF-AEGPPILISA-N

分子式:C21H30ClN5O5
分子量:467.95
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C1)NC(=O)OC(C)(C)C
SMILES:CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C1)NC(=O)OC(C)(C)C

Edoxaban impurity 4, an impurity of Edoxaban (DU-176), is a selective, potent, and orally active inhibitor of factor Xa (FXa), exhibiting Kis of 0.561 nM for free FXa and 2.98 nM for prothrombinase. As an anticoagulant agent, Edoxaban is utilized for stroke prevention[1][2].

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