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YD54

CAT: 1568-C04945-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C04945-1mgSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2951015-30-6
Synonyms
Flezurafenibum
Additionnal Information
YD54 is a potent, selective and orally bioavailable PROTAC and a degrader of SMARCA2 with DC50 of 8.1 nM at 24 hours. It exhibits antitumor activity in SMARCA4-mutant lung cancer xenograft models and can be used in research on non-small cell lung cancer.

Chemical Information

4-(2-(4-(4-((4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)-2-fluorophenyl)piperazin-1-yl)ethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CAS Number2951015-30-6
PubChem CID168968806
IUPAC Name4-[2-[4-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]-2-fluorophenyl]piperazin-1-yl]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC40H42FN9O6
Molecular Weight763.8
XLogP2.1
Topological Polar Surface Area178
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Heavy Atom Count56
Formal Charge0
Complexity1410
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCN4CCN(CC4)C5=C(C=C(C=C5)CN6CCN(CC6)C7=CC(=NN=C7N)C8=CC=CC=C8O)F
InChI
InChI=1S/C40H42FN9O6/c41-28-22-25(24-47-14-18-49(19-15-47)32-23-29(44-45-37(32)42)26-4-1-2-6-33(26)51)8-9-30(28)48-16-12-46(13-17-48)20-21-56-34-7-3-5-27-36(34)40(55)50(39(27)54)31-10-11-35(52)43-38(31)53/h1-9,22-23,31,51H,10-21,24H2,(H2,42,45)(H,43,52,53)
InChIKey
WBWCGTJXNCHFJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-(4-(4-((4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)-2-fluorophenyl)piperazin-1-yl)ethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CAS: 2951015-30-6
CID: 168968806
Formula: C40H42FN9O6
MW: 763.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight763.8
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Exact Mass763.32420826
Monoisotopic Mass763.32420826
Topological Polar Surface Area178 Ų
Heavy Atom Count56
Formal Charge0
Complexity1410
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

Alternative Products

CatalogName
GTR19239546-01YD54

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