For research use only. Not for therapeutic Use.
Glucocorticoid receptor agonist-2 Ala-Ala-Mal (compound 79) can be used to synthesize anti-inflammatory ADC molecules. Glucocorticoid receptor agonist-2 is an active reference for ABBV-3373[1].
| Catalog Number | I042472 |
| CAS Number | 2166376-64-1 |
| Synonyms | (2S)-N-[(2S)-1-[3-[4-[(1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-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]phenoxy]anilino]-1-oxopropan-2-yl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanamide |
| Molecular Formula | C47H50F2N4O12 |
| Purity | ≥95% |
| InChI | InChI=1S/C47H50F2N4O12/c1-24(50-38(58)15-17-53-39(59)12-13-40(53)60)41(61)51-25(2)42(62)52-27-6-5-7-30(18-27)63-29-10-8-26(9-11-29)43-64-37-21-31-32-20-34(48)33-19-28(55)14-16-44(33,3)46(32,49)35(56)22-45(31,4)47(37,65-43)36(57)23-54/h5-14,16,18-19,24-25,31-32,34-35,37,43,54,56H,15,17,20-23H2,1-4H3,(H,50,58)(H,51,61)(H,52,62)/t24-,25-,31-,32-,34-,35-,37+,43+,44-,45-,46-,47+/m0/s1 |
| InChIKey | KRZIDULFZLGQNC-IVNSWYEUSA-N |
| SMILES | CC(C(=O)NC(C)C(=O)NC1=CC(=CC=C1)OC2=CC=C(C=C2)C3OC4CC5C6CC(C7=CC(=O)C=CC7(C6(C(CC5(C4(O3)C(=O)CO)C)O)F)C)F)NC(=O)CCN8C(=O)C=CC8=O |
| Reference | [1]. Mcpherson MJ, et al. Preparation of glucocorticoid receptor agonist and immunoconjugates thereof. WO2017210471. 2017. |
