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MGD-22

CAT: 0013-GTR19264813-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264813-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MGD-22 is a molecular glue and orally active degrader of IKZF1/2/3, with DC50 values of 8.33 nM, 9.91 nM, and 5.74 nM, respectively. It exhibits strong anti-proliferative activity against various hematological cancer cells and induces cell apoptosis (apoptosis) . MGD-22 demonstrates significant anti-tumor efficacy in mice with NCI-H929 or WSU-DLCL-2 xenografts. This compound is useful for researching blood cancers, including multiple myeloma (MM), acute myeloid leukemia (AML), and diffuse large B-cell lymphoma (DLBCL) .
CAS Number
2991818-12-1
Field of Research
Cell Biology, Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
N#CC1=CC=C (C=C1) N2CCN (CC3=CC=C (C=C3) CNC4=CC=CC=5C (=O) N (N (C) CC45) C6C (=O) NC (=O) CC6) CC2
Molecular Formula
C33H35N7O3
Molecular Weight
577.68
Storage Conditions
-20°C
Notes
For research use only.

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]benzonitrile
CAS Number2991818-12-1
PubChem CID178203429
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]benzonitrile
Molecular FormulaC33H35N7O3
Molecular Weight577.7
XLogP3
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity1050
SMILES
CN1CC2=C(C=CC=C2NCC3=CC=C(C=C3)CN4CCN(CC4)C5=CC=C(C=C5)C#N)C(=O)N1C6CCC(=O)NC6=O
InChI
InChI=1S/C33H35N7O3/c1-37-22-28-27(33(43)40(37)30-13-14-31(41)36-32(30)42)3-2-4-29(28)35-20-24-5-7-25(8-6-24)21-38-15-17-39(18-16-38)26-11-9-23(19-34)10-12-26/h2-12,30,35H,13-18,20-22H2,1H3,(H,36,41,42)
InChIKey
JYCXJPMKUGPDEO-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]benzonitrile
CAS: 2991818-12-1
CID: 178203429
Formula: C33H35N7O3
MW: 577.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight577.7
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass577.28013800
Monoisotopic Mass577.28013800
Topological Polar Surface Area112 Ų
Heavy Atom Count43
Formal Charge0
Complexity1050
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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