For research use only. Not for therapeutic Use.
A 410099.1, amine-Boc hydrochloride is a functionalized IAP ligand and can be used for the synthesis of PROTACs, such as PROTACs targeting BTK (PROTACs 4 and 5)[1].
| Catalog Number | I015230 |
| CAS Number | 2374122-37-7 |
| Synonyms | tert-butyl N-[(2S)-1-[[(1S)-2-[(2S,4S)-4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride |
| Molecular Formula | C32H50ClN5O5 |
| Purity | ≥95% |
| InChI | InChI=1S/C32H49N5O5.ClH/c1-20(36(5)31(41)42-32(2,3)4)28(38)35-27(22-13-7-6-8-14-22)30(40)37-19-23(33)18-26(37)29(39)34-25-17-11-15-21-12-9-10-16-24(21)25;/h9-10,12,16,20,22-23,25-27H,6-8,11,13-15,17-19,33H2,1-5H3,(H,34,39)(H,35,38);1H/t20-,23-,25+,26-,27-;/m0./s1 |
| InChIKey | XWVNETXEAKCZET-CZNZTGDVSA-N |
| SMILES | CC(C(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)NC3CCCC4=CC=CC=C34)N)N(C)C(=O)OC(C)(C)C.Cl |
| Reference | [1]. Christopher P Tinworth, et al. PROTAC-Mediated Degradation of Bruton’s Tyrosine Kinase Is Inhibited by Covalent Binding. ACS Chem Biol.2019 Mar 15;14(3):342-347 |
