For research use only. Not for therapeutic Use.
CYP11A1-IN-1 (compound 30) is an inhibitor of CYP11A1, with IC50 value of 201-2000 nM. CYP11A1-IN-1 can be used for research in steroid receptor, particularly androgen receptor, dependent diseases and conditions, such as prostate cancer[1].
| Catalog Number | I040778 |
| CAS Number | 2744168-51-0 |
| Synonyms | tert-butyl 6-[[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]-2-azaspiro[3.3]heptane-2-carboxylate |
| Molecular Formula | C27H34N2O5 |
| Purity | ≥95% |
| InChI | InChI=1S/C27H34N2O5/c1-26(2,3)34-25(31)29-17-27(18-29)11-19(12-27)15-33-24-16-32-22(10-23(24)30)14-28-9-8-20-6-4-5-7-21(20)13-28/h4-7,10,16,19H,8-9,11-15,17-18H2,1-3H3 |
| InChIKey | FYDVRTQEHDKFTK-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=O)N1CC2(C1)CC(C2)COC3=COC(=CC3=O)CN4CCC5=CC=CC=C5C4 |
| Reference | [1]. Din B, et al. Preparation of substituted pyran-4-ones and 2-((cyclo)alkylsulfonyl)phenols as CYP11A1 inhibitors. World Intellectual Property Organization, WO2021229152 A1. 2021-11-18. |
