(1S,3R,4R)-Ethyl 3-((tert-Butoxycarbonyl)amino)-4-(2-((5-chloropyridin-2-yl)amino)-2-oxoacetamido)cyclohexanecarboxylate

CAS : 2810299-43-3

Ref. TR-E702880

Informations sur le produit

• Nom: (1S,3R,4R)-Ethyl 3-((tert-Butoxycarbonyl)amino)-4-(2-((5-chloropyridin-2-yl)amino)-2-oxoacetamido)cyclohexanecarboxylate
• Synonymes: ethyl (1S,3R,4R)-3-((tert-butoxycarbonyl)amino)-4-(2-((5-chloropyridin-2-yl)amino)-2-oxoacetamido)cyclohexane-1-carboxylate

Description

Applications (1S,3R,4R)-Ethyl 3-((tert-Butoxycarbonyl)amino)-4-(2-((5-chloropyridin-2-yl)amino)-2-oxoacetamido)cyclohexanecarboxylate is an intermediate in the synthesis of Edoxaban-d6 (E555522), the isotope labelled analog of Edoxaban (E555520); an anticoagulant drug which acts as a direct factor Xa inhibitor.
References Ruff, C., et al.: Am. Heart J., 160, 635 (2010); Ogata, K., et al.: J. Clin. Pharm., 50, 73 (2010)

• Marque: TRC

Propriétés chimiques

• Masse moléculaire: 468.931
• Formule: C₂₁H₂₉ClN₄O₆
• Couleur/Forme: Neat
• InChI: InChI=1S/C21H29ClN4O6/c1-5-31-19(29)12-6-8-14(15(10-12)25-20(30)32-21(2,3)4)24-17(27)18(28)26-16-9-7-13(22)11-23-16/h7,9,11-12,14-15H,5-6,8,10H2,1-4H3,(H,24,27)(H,25,30)(H,23,26,28)/t12-,14+,15+/m0/s1
• Code InChI: InChIKey=JKNXHOUPHCDQGN-NWANDNLSSA-N
• SMILES: CCOC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)OC(C)(C)C)C1