(alphaS)-α-Amino-N-[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]-benzenepropanamide Monohydrochloride

CAS: 205393-21-1

Ref. TR-A609965

Product Information

• Name: (alphaS)-α-Amino-N-[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]-benzenepropanamide Monohydrochloride
• Synonyms: Benzenepropanamide, α-amino-N-[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]-, hydrochloride (1:1), (αS)-, Benzenepropanamide, α-amino-N-[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]-, monohydrochloride, (αS)- (9CI), Benzenepropanamide, α-amino-N-[1-(hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl)-3-methylbutyl]-, monohydrochloride
• Brand: TRC
• Description: Applications (αS)-α-Amino-N-[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]-benzenepropanamide Monohydrochloride is a Bortezomib (B675700) intermediate which is used in the evaluation of bone-targeted proteasome inhibitors for myeloma.References Agyin, J.K., et al.: Bioorg. Med. Chem. Lett., 23, 6455 (2013); Traenckner, E., et al.: EMBO. J., 13, 5433 (1994)

Chemical properties

• Molecular weight: 448.8341
• Formula: C₂₄H₃₇BN₂O₃·ClH
• Color/Form: Neat
• InChI: InChI=1S/C24H37BN2O3.ClH/c1-15(2)11-21(27-22(28)18(26)12-16-9-7-6-8-10-16)25-29-20-14-17-13-19(23(17,3)4)24(20,5)30-25;/h6-10,15,17-21H,11-14,26H2,1-5H3,(H,27,28);1H/t17-,18-,19-,20+,21-,24-;/m0./s1
• InChI key: InChIKey=RKDOLWMHRHDTGJ-RUNUUTGDSA-N
• SMILES: CC(C)C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)B1O[C@H]2[C@H]3C[C@@H](C[C@H]2O1)C3(C)C.Cl