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YD23

CAT: 1568-C01999-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:1568-C01999-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2951015-29-3
Target
PROTAC
Applications
Others
Molecular Formula
C38H39FN8O7
Additionnal Information
YD23 is a PROTAC which induces the degradation of SMARCA2. It reduces chromatin accessibility in SMARCA4-deficient cells, affecting gene enhancers related to cell cycle and growth regulation, which leads to the downregulation of several cell cycle genes. It also selectively inhibits the growth of SMARCA4 mutant lung cancer cells in vitro.

Chemical Information

4-((2-(2-(4-((4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)-2-fluorophenoxy)ethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CAS Number2951015-29-3
PubChem CID168264923
IUPAC Name4-[2-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]-2-fluorophenoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC38H39FN8O7
Molecular Weight738.8
XLogP2.6
Topological Polar Surface Area193
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Heavy Atom Count54
Formal Charge0
Complexity1320
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOC4=C(C=C(C=C4)CN5CCN(CC5)C6=CC(=NN=C6N)C7=CC=CC=C7O)F
InChI
InChI=1S/C38H39FN8O7/c39-26-20-23(22-45-13-15-46(16-14-45)30-21-28(43-44-35(30)40)24-4-1-2-7-31(24)48)8-10-32(26)54-19-18-53-17-12-41-27-6-3-5-25-34(27)38(52)47(37(25)51)29-9-11-33(49)42-36(29)50/h1-8,10,20-21,29,41,48H,9,11-19,22H2,(H2,40,44)(H,42,49,50)
InChIKey
DMUYROJVOXZRNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((2-(2-(4-((4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)-2-fluorophenoxy)ethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CAS: 2951015-29-3
CID: 168264923
Formula: C38H39FN8O7
MW: 738.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight738.8
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Exact Mass738.29257377
Monoisotopic Mass738.29257377
Topological Polar Surface Area193 Ų
Heavy Atom Count54
Formal Charge0
Complexity1320
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
GTR19231281-01YD23
sc-135589TRIM52 (3-YD23)

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