Compound ID | 2431
Synonym(s): Rifamycin-nitroimidazole conjugate | TNP-2198
Class: RNA polymerase inhibitor
Spectrum of activity: | Gram-positive & Gram-negative |
Details of activity: | Active against Helicobacter pylori and Clostridioides difficile |
Description: | Synthetic compound |
Institute where first reported: | TenNor Therapeutics Ltd, 218 Xinghu Street, Suzhou Industrial Park, Suzhou 215123, China |
Year first mentioned: | 2022 |
Highest developmental phase: | Phase 3 (NCT05857163) |
Development status: | Active (as of 2023) |
Chemical structure(s): | |
Canonical SMILES: | C[C@H]1/C=C/C=C(/C)\C(=O)NC2=C(C3=C(C(=C4C(=C3C5=NC6(CCN(CC6)CCN7C(=NC=C7[N+](=O)[O-])C)N=C52)C(=O)[C@@](C)(O/C=C/[C@@H]([C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C@H]1O)O)OC(=O)C)OC)O4)C)O)O |
Isomeric SMILES: | C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=NC6(CCN(CC6)CCN7C(=NC=C7[N+](=O)[O-])C)N=C25)O)/C |
InChI: | InChI=1S/C48H61N7O13/c1-23-12-11-13-24(2)46(62)50-38-37-36(51-48(52-37)15-17-53(18-16-48)19-20-54-29(7)49-22-32(54)55(63)64)33-34(42(38)60)41(59)28(6)44-35(33)45(61)47(9,68-44)66-21-14-31(65-10)25(3)43(67-30(8)56)27(5)40(58)26(4)39(23)57/h11-14,21-23,25-27,31,39-40,43,57-60H,15-20H2,1-10H3,(H,50,62)/b12-11+,21-14+,24-13-/t23-,25+,26+,27+,31-,39-,40+,43+,47-/m0/s1 |
InChI Key: | OZUTUJQHZGJOKZ-AIGATTFSSA-N |
Structure link: | https://pubchem.ncbi.nlm.nih.gov/compound/136014272 |
External links: | |
Guide to Pharmacology: | rifasutenizol |
Main Source: | https://pubs.acs.org/doi/10.1021/acs.jmedchem.1c02045 |
Patent: | WO2020078154 |