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Applications
Enzymes
Cytochrome P450
(E)-N-(oxan-4-yl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]but-2-ene-1,4-diamine , CAS No.E609233, Antagonist of CXCR4;Inhibitor of CYP2D6
(E)-N-(oxan-4-yl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]but-2-ene-1,4-diamine , CAS No.E609233, Antagonist of CXCR4;Inhibitor of CYP2D6
Basic Description
Synonyms
compound 46c
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
ANTAGONIST, INHIBITOR
Mechanism of action
Antagonist of CXCR4;Inhibitor of CYP2D6
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
INCHI
InChI=1S/C28H38N4O/c1-2-8-24-20-31-26(19-23(24)7-1)21-32(16-4-3-14-29-25-12-17-33-18-13-25)27-11-5-9-22-10-6-15-30-28(22)27/h1-4,6-8,10,15,25-27,29,31H,5,9,11-14,16-21H2/b4-3+/t26-,27+/m1/s1
InChIKey
QPAGOTNPJABYCP-FITNPZAZSA-N
Smiles
O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2
Isomeric SMILES
C1C[C@@H](C2=C(C1)C=CC=N2)N(C/C=C/CNC3CCOCC3)C[C@H]4CC5=CC=CC=C5CN4
PubChem CID
133081963
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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