![(S)-6-(2-hydroxy-2-methyl-propyl)-3-{(S)-1-[4-(1-methyl-2-oxo-1,2-dihydro-pyridin-4-yl)-phenyl]-ethyl}-6-phenyl-[1,3]oxazinan-2-one structure, CAS 1114561-85-1](/structures/210000/180805_1_1114561_85_1.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1114561-85-1 |
| Catalog No. | 2A-3180007 |
| Chinese Name | BI-135585 |
| Synonyms | BI-135585; DA4HT8614K |
| Molecular Formula | C28H32N2O4 |
| Molecular Weight | 460.57 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 703.6±60.0 °C at 760 mmHg |
| Application | BI-135585 is a potent, selective and orally active 11β-hydroxysteroid dehydrogenase 1 (11β-HSD1) inhibitor with an IC50 of 13 nM. BI-135585 is more than 1,000 times more selective than other hydroxyst |
| PubChem ID | 85757809 |
| MDL Number | C28H32N2O4 |
| SMILES | CC(c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O |
| InChI | InChI=1S/C28H32N2O4/c1-20(21-10-12-22(13-11-21)23-14-16-29(4)25(31)18-23)30-17-15-28(34-26(30)32,19-27(2,3)33)24-8-6-5-7-9-24/h5-14,16,18,20,33H,15,17,19H2,1-4H3/t20-,28-/m0/s1 |
| InChI Key | TXNPQZGSVXLGGP-MMTVBGGISA-N |
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA