For research use only. Not for therapeutic Use.
HMGB1-IN-1(CAT: I040821) is a selective small-molecule inhibitor targeting High Mobility Group Box 1 (HMGB1), a nuclear protein that plays a key role in inflammation, immune responses, and cancer progression. By blocking HMGB1 activity, HMGB1-IN-1 effectively reduces pro-inflammatory signaling and has shown promise in preclinical studies for treating conditions such as sepsis, autoimmune diseases, and chronic inflammatory disorders. It is also valuable in cancer research, where HMGB1 is implicated in tumor growth, metastasis, and therapy resistance. HMGB1-IN-1 is a powerful tool for studying HMGB1-mediated pathways and supports the development of novel therapeutics targeting inflammation and immune-related diseases.
| Synonyms | [1-[(2R,3S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]triazol-4-yl]methyl (2S,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate |
| Molecular Formula | C57H75N3O15 |
| Purity | ≥95% |
| IUPAC Name | [1-[(2R,3S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]triazol-4-yl]methyl (2S,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate |
| InChI | InChI=1S/C57H75N3O15/c1-32(61)69-31-42-46(71-33(2)62)47(72-34(3)63)48(73-35(4)64)50(74-42)60-29-37(58-59-60)30-70-51(67)54(8)24-23-53(7)25-26-56(10)39(40(53)28-54)27-41(65)49-55(9)21-20-44(52(5,6)43(55)19-22-57(49,56)11)75-45(66)18-15-36-13-16-38(68-12)17-14-36/h13-18,27,29,40,42-44,46-50H,19-26,28,30-31H2,1-12H3/b18-15+/t40-,42?,43?,44+,46+,47?,48+,49-,50-,53-,54+,55+,56-,57-/m1/s1 |
| InChIKey | IUUFQRKCQQVFCR-QBADKEKSSA-N |
| SMILES | CC(=O)OCC1C(C(C(C(O1)N2C=C(N=N2)COC(=O)C3(CCC4(CCC5(C(=CC(=O)C6C5(CCC7C6(CCC(C7(C)C)OC(=O)C=CC8=CC=C(C=C8)OC)C)C)C4C3)C)C)C)OC(=O)C)OC(=O)C)OC(=O)C |
