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BMS-986463

CAT: 0931-T210494-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T210494-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3025467-07-3
Target
Molecular Glues, Wee1
Related Pathways
PROTAC, Cell Cycle/Checkpoint
Bioactivity
BMS-986463 is a WEE1 kinase molecule gel degrader and a CRBN E3 ligase regulator (CELMoD) . BMS-986463 significantly inhibits tumor regression and reduces the level of phosphorylated CDK2. BMS-986463 can be used in the research of advanced malignant solid tumors such as non-small cell lung cancer (NSCLC) .
Smiles
O=C1C=2C(CN1[C@@H]3C(=O)NC(=O)CC3)=CC(O[C@@H]4CN(CC5=CC6=C(C(F)=C5)N=C(C=C6)C7CCOCC7)CC4)=CC2
Molecular Formula
C32H33FN4O5
Molecular Weight
572.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 170708061
CAS Number3025467-07-3
PubChem CID170708061
IUPAC Name(3S)-3-[6-[(3S)-1-[[8-fluoro-2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular FormulaC32H33FN4O5
Molecular Weight572.6
XLogP2.7
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity1020
SMILES
C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC(=C3)O[C@H]4CCN(C4)CC5=CC(=C6C(=C5)C=CC(=N6)C7CCOCC7)F
InChI
InChI=1S/C32H33FN4O5/c33-26-14-19(13-21-1-4-27(34-30(21)26)20-8-11-41-12-9-20)16-36-10-7-24(18-36)42-23-2-3-25-22(15-23)17-37(32(25)40)28-5-6-29(38)35-31(28)39/h1-4,13-15,20,24,28H,5-12,16-18H2,(H,35,38,39)/t24-,28-/m0/s1
InChIKey
JPTNRZBZSUZXCS-CUBQBAPOSA-N
Chemical Structure
2D Structure
2D structure of CID 170708061
CAS: 3025467-07-3
CID: 170708061
Formula: C32H33FN4O5
MW: 572.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.6
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass572.24349833
Monoisotopic Mass572.24349833
Topological Polar Surface Area101 Ų
Heavy Atom Count42
Formal Charge0
Complexity1020
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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