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IKZF1-degrader-2

CAT: 0931-T86708-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T86708-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2915330-86-6
Target
Molecular Glues, IKZF
Related Pathways
Immunology/Inflammation, PROTAC
Bioactivity
IKZF1-degrader-2 (Compound 3), an IKZF1 degrader, exhibits anticancer activity and low toxicity [1].
Smiles
O(CC1=CC=C(CN2C[C@]3(N(CC2)C=4C(OC3)=CC(C#N)=CC4)[H])C=C1)C5=C6C(C(=O)N(C6)[C@@H]7C(=O)NC(=O)CC7)=CC(F)=C5
Molecular Formula
C33H30FN5O5
Molecular Weight
595.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

IKZF1-degrader-2
CAS Number2915330-86-6
PubChem CID171038196
IUPAC Name(4aR)-3-[[4-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-8-carbonitrile
Molecular FormulaC33H30FN5O5
Molecular Weight595.6
XLogP2.7
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count44
Formal Charge0
Complexity1150
SMILES
C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=C(C=C3OCC4=CC=C(C=C4)CN5CCN6[C@H](C5)COC7=C6C=CC(=C7)C#N)F
InChI
InChI=1S/C33H30FN5O5/c34-23-12-25-26(17-39(33(25)42)28-7-8-31(40)36-32(28)41)29(13-23)43-18-21-3-1-20(2-4-21)15-37-9-10-38-24(16-37)19-44-30-11-22(14-35)5-6-27(30)38/h1-6,11-13,24,28H,7-10,15-19H2,(H,36,40,41)/t24-,28+/m1/s1
InChIKey
NHWVAVCMHSJXSG-YWEHKCAJSA-N
Chemical Structure
2D Structure
2D structure of IKZF1-degrader-2
CAS: 2915330-86-6
CID: 171038196
Formula: C33H30FN5O5
MW: 595.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight595.6
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass595.22309724
Monoisotopic Mass595.22309724
Topological Polar Surface Area115 Ų
Heavy Atom Count44
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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GTR19235116-01IKZF1-degrader-2
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