7P1P-4IX
General
Type : Oxime,Triazol
Chemical_Nomenclature : (E)-3-hydroxy-6-(3-(4-(4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)-1H-1,2,3-triazol-1-yl)propyl)picolinaldehyde oxime
Canonical SMILES : C1=C(N=C(C(=C1)O)C(=N\/O)[H])CCC[N]2C=C(N=N2)CCCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI : InChI=1S\/C21H31N5O8\/c27-12-17-18(29)19(30)20(31)21(34-17)33-9-2-1-4-14-11-26(25-24-14)8-3-5-13-6-7-16(28)15(23-13)10-22-32\/h6-7,10-11,17-21,27-32H,1-5,8-9,12H2\/b22-10-\/t17-,18-,19+,20-,21-\/m1\/s1
InChIKey : XSKZXNAZWMWYGQ-WXHIOXNPSA-N
Other name(s) : 4IX,(2R,3R,4S,5S,6R)-2-[4-[1-[3-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MW : 481.50
Formula : C21H31N5O8
CAS_number :
PubChem : 162371035
UniChem : XSKZXNAZWMWYGQ-WXHIOXNPSA-N
IUPHAR :
Wikipedia :
Target
Families : 7P1P-4IX ligand of proteins in family: ACHE
Stucture : 7P1P Crystal structure of human acetylcholinesterase in complexe with (E)-3-hydroxy-6-(3-(4-(4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)-1H-1,2,3-triazol-1-yl)propyl)picolinaldehyde oxime
Protein : human-ACHE
References (1)
| Title : A New Class of Bi- and Trifunctional Sugar Oximes as Antidotes against Organophosphorus Poisoning - Da Silva_2022_J.Med.Chem_65_4649 |
| Author(s) : Da Silva O , Probst N , Landry C , Hanak AS , Warnault P , Coisne C , Calas AG , Gosselet F , Courageux C , Gastellier AJ , Trancart M , Baati R , Dehouck MP , Jean L , Nachon F , Renard PY , Dias J |
| Ref : Journal of Medicinal Chemistry , 65 :4649 , 2022 |
| Abstract : Da Silva_2022_J.Med.Chem_65_4649 |
| ESTHER : Da Silva_2022_J.Med.Chem_65_4649 |
| PubMedSearch : Da Silva_2022_J.Med.Chem_65_4649 |
| PubMedID: 35255209 |
| Gene_locus related to this paper: human-ACHE |