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: B(C(CC(C)C)NC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl)(O)OIsomeric SMILES
SMILES: B([C@H](CC(C)C)NC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl)(O)OSynonyms(20)
Ixazomib1072833-77-2MLN2238MLN-2238MLN 2238MLN-9708 FREE BASEDTXSID701025662[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acidCHEBI:90942L01XX50Boronic acid, b-((1R)-1-((2-((2,5-dichlorobenzoyl)amino)acetyl)amino)-3-methylbutyl)-71050168A2[(1R)-1-{2-[(2,5-dichlorophenyl)formamido]acetamido}-3-methylbutyl]boronic acid((1R)-1-((2,5-DICHLOROBENZAMIDO)ACETAMIDO)-3-METHYLBUTYL)BORONIC ACIDixazomibum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ixazomib
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