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MGD-28

CAT: 0931-T201415-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T201415-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2991818-13-2
Target
IKZF, Casein Kinase
Related Pathways
Immunology/Inflammation, Stem Cells, Metabolism
Purity
0.9939
Bioactivity
MGD-28 is a potent, orally active Cullin-CRBN-dependent IKZF family protein degrader that dose-dependently degrades IKZF1 (Ikaros), IKZF2 (Helios), and IKZF3 (Aiolos) at nanomolar strengths.MGD-28 also degrades CK1α, and has shown antiproliferative activity against a variety of hematologic cancer cell lines showing antiproliferative activity in vitro and antitumor effects in in vivo assays, and is commonly used in multiple myeloma (MM) and hematological disorders.
Smiles
N#CC1=CC=C(C=C1F)N2CCN(CC3=CC=C(C=C3)CNC4=CC=CC=5C(=O)N(N(C)CC45)C6C(=O)NC(=O)CC6)CC2
Molecular Formula
C33H34FN7O3
Molecular Weight
595.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[4-[[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxo-4H-phthalazin-5-yl]amino]methyl]phenyl]methyl]piperazin-1-yl]-2-fluorobenzonitrile
CAS Number2991818-13-2
PubChem CID172871692
IUPAC Name4-[4-[[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxo-4H-phthalazin-5-yl]amino]methyl]phenyl]methyl]piperazin-1-yl]-2-fluorobenzonitrile
Molecular FormulaC33H34FN7O3
Molecular Weight595.7
XLogP3.1
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity1100
SMILES
CN1CC2=C(C=CC=C2NCC3=CC=C(C=C3)CN4CCN(CC4)C5=CC(=C(C=C5)C#N)F)C(=O)N1C6CCC(=O)NC6=O
InChI
InChI=1S/C33H34FN7O3/c1-38-21-27-26(33(44)41(38)30-11-12-31(42)37-32(30)43)3-2-4-29(27)36-19-22-5-7-23(8-6-22)20-39-13-15-40(16-14-39)25-10-9-24(18-35)28(34)17-25/h2-10,17,30,36H,11-16,19-21H2,1H3,(H,37,42,43)
InChIKey
JICHBFQDRLGJTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-[[4-[[[2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxo-4H-phthalazin-5-yl]amino]methyl]phenyl]methyl]piperazin-1-yl]-2-fluorobenzonitrile
CAS: 2991818-13-2
CID: 172871692
Formula: C33H34FN7O3
MW: 595.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight595.7
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass595.27071613
Monoisotopic Mass595.27071613
Topological Polar Surface Area112 Ų
Heavy Atom Count44
Formal Charge0
Complexity1100
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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