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MGD-4

CAT: 0931-T201701-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201701-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2991817-99-1
Target
IKZF, E3 Ligase Ligand-Linker Conjugate
Related Pathways
PROTAC, Immunology/Inflammation
Bioactivity
MGD-4 is an orally active, Cereblon (CRBN) -dependent degrader of IKAROS proteins that demonstrates dose-dependent degradation of IKZF1 (DC50=67.2 nM), IKZF2 (DC50=918.2 nM), and IKZF3 (DC50=95.8 nM) . The compound effectively inhibits the growth of multiple myeloma.
Smiles
O=C1C=2C=CC=C(N)C2CN(N1C3C(=O)NC(=O)CC3)C
Molecular Formula
C14H16N4O3
Molecular Weight
288.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(5-amino-3-methyl-1-oxo-4H-phthalazin-2-yl)piperidine-2,6-dione
CAS Number2991817-99-1
PubChem CID169097467
IUPAC Name3-(5-amino-3-methyl-1-oxo-4H-phthalazin-2-yl)piperidine-2,6-dione
Molecular FormulaC14H16N4O3
Molecular Weight288.30
XLogP-0.3
Topological Polar Surface Area95.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity481
SMILES
CN1CC2=C(C=CC=C2N)C(=O)N1C3CCC(=O)NC3=O
InChI
InChI=1S/C14H16N4O3/c1-17-7-9-8(3-2-4-10(9)15)14(21)18(17)11-5-6-12(19)16-13(11)20/h2-4,11H,5-7,15H2,1H3,(H,16,19,20)
InChIKey
MXJNMZBXMSTPNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(5-amino-3-methyl-1-oxo-4H-phthalazin-2-yl)piperidine-2,6-dione
CAS: 2991817-99-1
CID: 169097467
Formula: C14H16N4O3
MW: 288.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.30
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass288.12224039
Monoisotopic Mass288.12224039
Topological Polar Surface Area95.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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