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IKZF1-degrader-1

CAT: 0013-GTR19235117-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235117-01Size:10 mg
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Description
Compound 9-B (IKZF1-degrader-1) is a highly potent small molecule degrader of the IKZF1 protein with a DC50 of 0.134 nM. It is a valuable research tool for studying IKZF1 biology and has demonstrated utility in preclinical models of hematological malignancies, supporting investigations into targeted protein degradation for oncology.
CAS Number
2915586-02-4
Field of Research
Epigenetics & Chromatin, Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
C (C=1C=2C=3C (N (C (=O) C3C=C (F) C2) [C@@H]4C (=O) NC (=O) CC4) =CC1) C5=CC=C (CN6CCN (CC6) C7=C (F) C=C (C#N) C=C7) C=C5
Molecular Formula
C35H29F2N5O3
Molecular Weight
605.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

IKZF1-degrader-1
CAS Number2915586-02-4
PubChem CID171038195
IUPAC Name4-[4-[[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-4-fluoro-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]methyl]piperazin-1-yl]-3-fluorobenzonitrile
Molecular FormulaC35H29F2N5O3
Molecular Weight605.6
XLogP4.8
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count45
Formal Charge0
Complexity1180
SMILES
C1CC(=O)NC(=O)[C@H]1N2C3=C4C(=CC(=CC4=C(C=C3)CC5=CC=C(C=C5)CN6CCN(CC6)C7=C(C=C(C=C7)C#N)F)F)C2=O
InChI
InChI=1S/C35H29F2N5O3/c36-25-17-26-24(6-8-30-33(26)27(18-25)35(45)42(30)31-9-10-32(43)39-34(31)44)15-21-1-3-22(4-2-21)20-40-11-13-41(14-12-40)29-7-5-23(19-38)16-28(29)37/h1-8,16-18,31H,9-15,20H2,(H,39,43,44)/t31-/m0/s1
InChIKey
HULAZOQCQMEDII-HKBQPEDESA-N
Chemical Structure
2D Structure
2D structure of IKZF1-degrader-1
CAS: 2915586-02-4
CID: 171038195
Formula: C35H29F2N5O3
MW: 605.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.6
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass605.22384613
Monoisotopic Mass605.22384613
Topological Polar Surface Area96.8 Ų
Heavy Atom Count45
Formal Charge0
Complexity1180
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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