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YD23

CAT: 0931-T77973-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T77973-01Size:1 mg
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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
PROTACs, Epigenetic Reader Domain
Related Pathways
PROTAC, Chromatin/Epigenetic
Purity
0.9811
Bioactivity
YD23 is a PROTAC that induces SMARCA2 degradation, has anticancer activity, and selectively inhibits the growth of SMARCA4 mutant lung cancer cells in vitro.
Smiles
O=C1NC(=O)C(N2C(=O)C=3C=CC=C(NCCOCCOC4=CC=C(C=C4F)CN5CCN(C=6C=C(N=NC6N)C7=CC=CC=C7O)CC5)C3C2=O)CC1
Molecular Formula
C38H39FN8O7
Molecular Weight
738.76
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
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

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