ChemicalBook--->CAS DataBase List--->1239908-20-3

1239908-20-3

1239908-20-3 Structure

1239908-20-3 Structure
IdentificationBack Directory
[Name]

Ixazomib citrate (USAN)
[CAS]

1239908-20-3
[Synonyms]

MLN9708(b)
Ixazomib citrat
Esazomib citrate
Lxazomib Citrate
Ixazomib Impurity N
Ixazomib Impurity 19
Ixazomib citrate (USAN)
Ixazomib citrate(MLN9708)
IXAZOMIB CITRATE;MLN 9708;MLN-9708
IXAZOMIB; MLN-9708;MLN9708;MLN 9708
Ixazomib Impurity 23 (Ixazomib Citrate)
Ixazomib citrate (USAN)(For R & D only)
2,2'-(2-(1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-5-oxo-1,3,2-dioxaborolane-4,4-diyl)diacetic acid
2-[(1R)-1-[[2-[(2,5-Dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-5-oxo-1,3,2-dioxaborolane-4,4-diacetic acid
(R)-2,2'-(2-(1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-5-oxo-1,3,2-dioxaborolane-4,4-diyl)diacetic acid
1,3,2-Dioxaborolane-4,4-diacetic acid, 2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-5-oxo-
2-[4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid
MLN 9708 / Ixazomib citrate / 1,3,2-Dioxaborolane-4,4-diacetic acid, 2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-5-oxo-
(R)-2,2'-(2-(1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-5-oxo-1,3,2-dioxaborolane-4,4-diyl)diacetic acid compound with 2-hydroxypropane-1,2,3-tricarboxylic acid (1:1)
[Molecular Formula]

C20H23BCl2N2O9
[MDL Number]

MFCD29767859
[MOL File]

1239908-20-3.mol
[Molecular Weight]

517.12
Chemical PropertiesBack Directory
[density ]

1.47±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO:100.0(Max Conc. mg/mL);193.38(Max Conc. mM)
Ethanol:100.0(Max Conc. mg/mL);193.38(Max Conc. mM)
[form ]

Solid
[pka]

3.59±0.10(Predicted)
[color ]

White to off-white
[InChIKey]

MBOMYENWWXQSNW-AWEZNQCLSA-N
[SMILES]

O1C(=O)C(CC(O)=O)(CC(O)=O)OB1[C@@H](NC(CNC(=O)C1=CC(Cl)=CC=C1Cl)=O)CC(C)C
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS08
[Signal word ]

Danger
[Hazard statements ]

H360-H362
[Precautionary statements ]

P201-P260-P263-P264-P270-P308+P313
Hazard InformationBack Directory
[Uses]

Ixazomib Citrate is a reversible boronic acid proteasome inhibitor.
[Definition]

ChEBI: 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 2,2'-{2-[(1R)-1-amino-3-methylbutyl]-5-oxo-1,3,2-dioxaborolane-4,4-diy }diacetic acid. A prodrug for ixazomib that is used in combination therapy for treatment of multiple myeloma.
[in vivo]

Ixazomib citrate (MLN9708; 11 mg/kg) significantly inhibits MM tumor growth and prolongs survival in the human plasmacytoma MM.1S xenograft mouse model. The blood chemistry profiles of Ixazomib-treated mice show normal levels of creatinine, hemoglobin, and bilirubin. Ixazomib dramatically increases the number of cleaved-caspase-3 positive cells of the xenograft model[2].

Spectrum DetailBack Directory
[Spectrum Detail]

Ixazomib citrate(1239908-20-3)1HNMR
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