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Ixazomib citrate

CAT: 0013-GTR19165574-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165574-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ixazomib citrate (MLN9708) is an orally administered prodrug that is rapidly hydrolyzed to the active proteasome inhibitor ixazomib. This second-generation inhibitor demonstrates potent antineoplastic activity in vitro and in vivo, primarily applied in multiple myeloma research and investigations of proteasome function.
CAS Number
1239908-20-3
Product Name Alternative
MLN9708, MLN-9708, MLN 9708, Ixazomib, Ixazomib citrate, Ixazomib Citrate, Inhibitor, inhibit, Autophagy, Proteasome
Field of Research
Cell Biology, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
98.37% (May vary between batches)
Solubility
DMSO:100 mg/mL (193.38 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (7.74 mM)
Smiles
CC (C) C[C@H] (NC (=O) CNC (=O) c1cc (Cl) ccc1Cl) B1OC (=O) C (CC (O) =O) (CC (O) =O) O1
Molecular Formula
C20H23BCl2N2O9
Molecular Weight
517.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ixazomib citrate

Ixazomib citrate 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 2,2'-{2-[(1R)-1-amino-3-methylbutyl]-5-oxo-1,3,2-dioxaborolane-4,4-diyl}diacetic acid. A prodrug for ixazomib that is used in combination therapy for treatment of multiple myeloma. It has a role as an antineoplastic agent, a prodrug, a proteasome inhibitor, an apoptosis inducer and an orphan drug. It is a member of benzamides, a dichlorobenzene, a glycine derivative, an oxo dicarboxylic acid and a 1,3,2-dioxaborolane. It is functionally related to an ixazomib.

CAS Number1239908-20-3
PubChem CID56844015
IUPAC Name2-[4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid
Molecular FormulaC20H23BCl2N2O9
Molecular Weight517.1
Topological Polar Surface Area168
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity797
SMILES
B1(OC(=O)C(O1)(CC(=O)O)CC(=O)O)[C@H](CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-19(32)20(34-21,7-16(27)28)8-17(29)30)25-15(26)9-24-18(31)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,31)(H,25,26)(H,27,28)(H,29,30)/t14-/m0/s1
InChIKey
MBOMYENWWXQSNW-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Ixazomib citrate
CAS: 1239908-20-3
CID: 56844015
Formula: C20H23BCl2N2O9
MW: 517.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass516.0873659
Monoisotopic Mass516.0873659
Topological Polar Surface Area168 Ų
Heavy Atom Count34
Formal Charge0
Complexity797
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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