Reactivator Report for: Phenyltetrahydroisoquinoline-Pyridinaldoxime-1b
| Phenyltetrahydroisoquinoline-Pyridinaldoxime-1b | Type | Oxime |
|---|
| | Pyridine-aldoxime |
| | Isoquinoline |
| Other_Name | CHEMBL2181431 |
| Chemical_Nomenclature | 6-[4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol |
| Formula | C27H31N3O4 |
| MW | 461.6 |
|  |
| Paper | Mercey_2012_J.Med.Chem_55_10791 |
| Comment | (from Mercey et al.) The best global reactivation efficiency has been obtained with a linker length of four or five carbon atoms attached on position 6 of the pyridine ring,i.e., for 1b and 1c. Their derivatives show a lower ability to reactivate VX-inhibited hAChE, yet superior to that of 2-PAM. three new compounds reported,1d,1e, and 1h, are more efficient than TMB-4 for reactivation of tabun-inhibited AChE, while 1a and 1i are as efficient as TMB-4. 1b-d are as efficient as obidoxime and TMB-4 toward paraoxon-inhibited AChE |
| CID | 136015313 |
| InChIKey | OPEXRHHTTCQEDE-MTDXEUNCSA-N |
| CanonicalSMILES | COC1=C(C=C2C(N(CCC2=C1)CCCCC3=NC(=C(C=C3)O)C=NO)C4=CC=CC=C4)OC |
| InChI | InChI=1S/C27H31N3O4/c1-33-25-16-20-13-15-30(14-7-6-10-21-11-12-24(31)23(29-21)18-28-32)27(19-8-4-3-5-9-19)22(20)17-26(25)34-2/h3-5,8-9,11-12,16-18,27,31-32H,6-7,10,13-15H2,1-2H3/b28-18+ |
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