(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

Informação sobre produto

• Nome: (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
• Sinónimos: Benzenepropanamide, a-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), (aS)-, Benzenepropanamide, a-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, (aS)- (9CI), Benzenepropanamide, a-amino-N-[1-(hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl)-3-methylbutyl]-, monohydrochloride, [3aS-[2[S*(R*)],3aa,4ß,6ß,7aa]]-, N-[(1S)-1-benzyl-2-({(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0~2,6~]dec-4-yl]butyl}amino)-2-oxoethyl], (alphaS)-alpha-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 hydrochloride, Bortezomib Intermediate II

Descrição

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)

• Marca: TRC

Propriedades químicas

• Peso molecular: 448.8341
• Fórmula: C₂₄H₃₇BN₂O₃·ClH
• Cor/forma: Neat
• InChI: /h6-10,15,17-21H,11-14,26H2,1-5H3,(H,27,28), 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, /m0./s1, 1H/t17-,18-,19-,20+,21-,24-
• Chave InChI: 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