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MYC degrader 1

CAT: 0931-T85534-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T85534-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2946670-96-6
Target
Molecular Glues, c-Myc
Related Pathways
Cell Cycle/Checkpoint, PROTAC
Bioactivity
A80.2HCl, a MYC degrader, restores pRB1 protein activity and reduces MYC-dependent CDK4/6 resistance, demonstrating antitumor activity [1].
Smiles
O=C1NC(=O)C(N2C(=O)C3=CC=C(C=C3C2)CNCC4CCN(C=5N=CC(=CC5C(F)(F)F)C6=CC=CC(Cl)=C6)CC4)CC1
Molecular Formula
C32H31ClF3N5O3
Molecular Weight
626.07
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MYC degrader 1
CAS Number2946670-96-6
PubChem CID169969485
IUPAC Name3-[6-[[[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular FormulaC32H31ClF3N5O3
Molecular Weight626.1
XLogP4.5
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity1060
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)CNCC4CCN(CC4)C5=C(C=C(C=N5)C6=CC(=CC=C6)Cl)C(F)(F)F
InChI
InChI=1S/C32H31ClF3N5O3/c33-24-3-1-2-21(13-24)22-14-26(32(34,35)36)29(38-17-22)40-10-8-19(9-11-40)15-37-16-20-4-5-25-23(12-20)18-41(31(25)44)27-6-7-28(42)39-30(27)43/h1-5,12-14,17,19,27,37H,6-11,15-16,18H2,(H,39,42,43)
InChIKey
PMUIBOGXXSNZKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MYC degrader 1
CAS: 2946670-96-6
CID: 169969485
Formula: C32H31ClF3N5O3
MW: 626.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight626.1
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass625.2067520
Monoisotopic Mass625.2067520
Topological Polar Surface Area94.6 Ų
Heavy Atom Count44
Formal Charge0
Complexity1060
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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