Glucocorticoid receptor agonist-2

• CAT Number: I042473
• CAS Number: 2166378-92-1
• Molecular Formula: C34H35F2NO7
• Molecular Weight: 607.64
• Purity: ≥95%
• Synonyms: (1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-6-[4-(3-aminophenoxy)phenyl]-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
• InChI: InChI=1S/C34H35F2NO7/c1-31-11-10-20(39)13-25(31)26(35)14-24-23-15-29-34(28(41)17-38,32(23,2)16-27(40)33(24,31)36)44-30(43-29)18-6-8-21(9-7-18)42-22-5-3-4-19(37)12-22/h3-13,23-24,26-27,29-30,38,40H,14-17,37H2,1-2H3/t23-,24-,26-,27-,29+,30+,31-,32-,33-,34+/m0/s1
• InChIKey: LCDCPIOGHJGDBP-APTODLHGSA-N
• SMILES: CC12CC(C3(C(C1CC4C2(OC(O4)C5=CC=C(C=C5)OC6=CC=CC(=C6)N)C(=O)CO)CC(C7=CC(=O)C=CC73C)F)F)O

Glucocorticoid receptor agonist-2 (compound 21) is an glucocorticoid receptor agonist with an IC50 value of 6.6 nM. Glucocorticoid receptor agonist-2 can be used to synthesize anti-inflammatory ADC molecules. Glucocorticoid receptor agonist-2 is an active reference of ABBV-3373[1].
Glucocorticoid receptor agonist-2 shows glucocorticoid receptor (GR) and progersterone receptor (PR) binding activities with IC50 values of 6.6 and 7.3 nM, respectively[1].
Glucocorticoid receptor agonist-2 shows EC50 values of 0.2 and 442 nM to glucocorticoid responsive element (GRE) reporter and mineralcorticoid receptor (MR), respectively[1].
Glucocorticoid receptor agonist-2 agonists MR with an EC50 value of 149 nM[1].

Reference

[1]. Mcpherson MJ, et al. Preparation of glucocorticoid receptor agonist and immunoconjugates thereof. WO2017210471. 2017.