Ixazomib
[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid
Molecular Identity
Ixazomib
[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid
PubChem CID: 25183872
Ixazomib is a glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of [(1R)-1-amino-3-methylbutyl]boronic acid. The active metabolite of ixazomib citrate, it is used in combination therapy for treatment of multiple myeloma. It has a role as an antineoplastic agent, a drug metabolite, a proteasome inhibitor, an apoptosis inducer and an orphan drug. It is a member of benzamides, a dichlorobenzene, a glycine derivative and a member of boronic acids.
2D Structure
Properties
C14H19BCl2N2O4
Molecular Formula
361.00
Molecular Weight
g/mol
360.0815
Exact Mass
Da
98.7
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
412
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Ixazomib1072833-77-2MLN2238MLN-2238MLN 2238MLN-9708 FREE BASE[(1R)-1-{2-[(2,5-dichlorophenyl)formamido]acetamido}-3-methylbutyl]boronic acidCHEBI:90942DTXSID701025662[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acidBoronic acid, b-((1R)-1-((2-((2,5-dichlorobenzoyl)amino)acetyl)amino)-3-methylbutyl)-71050168A2((1R)-1-((2,5-DICHLOROBENZAMIDO)ACETAMIDO)-3-METHYLBUTYL)BORONIC ACIDixazomibum((1R)-1-((2-((2,5-dichlorobenzoyl)amino)acetyl)amino)-3-methylbutyl)boronic acid
Data from PubChem (NCBI)
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