Glucocorticoid receptor agonist-1 Ala-Ala-Mal

• CAT Number: I042325
• CAS Number: 2166376-51-6
• Molecular Formula: C48H54N4O11
• Molecular Weight: 862.96
• Purity: ≥95%
• Synonyms: (2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[(2S)-1-[3-[[4-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-6-yl]phenyl]methyl]anilino]-1-oxopropan-2-yl]propanamide
• InChI: InChI=1S/C48H54N4O11/c1-26(49-39(57)17-19-52-40(58)14-15-41(52)59)43(60)50-27(2)44(61)51-32-7-5-6-29(21-32)20-28-8-10-30(11-9-28)45-62-38-23-35-34-13-12-31-22-33(54)16-18-46(31,3)42(34)36(55)24-47(35,4)48(38,63-45)37(56)25-53/h5-11,14-16,18,21-22,26-27,34-36,38,42,45,53,55H,12-13,17,19-20,23-25H2,1-4H3,(H,49,57)(H,50,60)(H,51,61)/t26-,27-,34-,35-,36-,38+,42+,45+,46-,47-,48+/m0/s1
• InChIKey: STCNTKNIXVQMDF-ZYKKSPNHSA-N
• SMILES: CC(C(=O)NC(C)C(=O)NC1=CC=CC(=C1)CC2=CC=C(C=C2)C3OC4CC5C6CCC7=CC(=O)C=CC7(C6C(CC5(C4(O3)C(=O)CO)C)O)C)NC(=O)CCN8C(=O)C=CC8=O

Glucocorticoid receptor agonist-1 Ala-Ala-Mal (compound 88) is a glucocorticosteroid, and an agonist of glucocorticoid receptor. Glucocorticoid receptor agonist-1 Ala-Ala-Mal can be conjugated with Adalimumab (HY-P9908) to prepare an ADC[1].

Reference

[1]. McPherson, et al. Preparation of glucocorticoid receptor agonist and immunoconjugates thereof: World Intellectual Property Organization, WO2017210471[P]. 2017-12-07.