For research use only. Not for therapeutic Use.
Nodularin(CAT: R020276) is a hepatotoxic monocylic pentapeptide produced by the cyanobacterium Nodularia spumigena. It poses significant environmental and health concerns, particularly in regions where this cyanobacterium contaminates drinking water and accumulates in aquatic organisms like mussels, flounder, and cod in the northern Baltic Sea. Nodularin is a potent inhibitor of protein phosphatase types 1 (PP1) and 2A (PP2A), with IC50 values of 1.8 and 0.026 nM, respectively.
| Catalog Number | R020276 |
| CAS Number | 118399-22-7 |
| Synonyms | Cyclo[(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoyl-D-γ-glutamyl-(2Z)-2-(methylamino)-2-butenoyl-(3S)-3-methyl-D-β-aspartyl-L-arginyl]; Cyclo[(Z)-2,3-didehydro-N-methyl-2-aminobutanoyl-erythro-3-methyl-D-β-aspartyl-L |
| Molecular Formula | C41H60N8O10 |
| Purity | ≥95% |
| Storage | -20°C |
| IUPAC Name | (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid |
| InChI | InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1 |
| InChIKey | IXBQSRWSVIBXNC-HSKGSTCASA-N |
| SMILES | CC=C1C(=O)NC(C(C(=O)NC(C(=O)NC(C(C(=O)NC(CCC(=O)N1C)C(=O)O)C)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C)CCCN=C(N)N)C)C(=O)O |
