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YDR1

CAT: 0013-GTR19239911-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239911-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
YDR1 is a potent and selective PROTAC degrader of SMARCA2 (BRM), demonstrating a DC50 of 7.7 nM. This small molecule is a valuable chemical probe for investigating SMARCA2 biology and oncology target validation in both cellular and in vivo models.
CAS Number
2951015-31-7
Field of Research
Epigenetics & Chromatin, Pharmacology & Drug Discovery
Smiles
O=C1C2=CC=C (C=C2C (=O) N1C3C (=O) NC (=O) CC3) N4CCN (CC4) CC5CCN (C6=CC=C (C=C6F) CN7CCN (C=8C=C (N=NC8N) C9=CC=CC=C9O) CC7) CC5
Molecular Formula
C44H49FN10O5
Molecular Weight
816.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[4-[[1-[4-[[4-[3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]-2-fluorophenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CAS Number2951015-31-7
PubChem CID169999675
IUPAC Name5-[4-[[1-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]-2-fluorophenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC44H49FN10O5
Molecular Weight816.9
XLogP3
Topological Polar Surface Area172
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Heavy Atom Count60
Formal Charge0
Complexity1540
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)CC5CCN(CC5)C6=C(C=C(C=C6)CN7CCN(CC7)C8=CC(=NN=C8N)C9=CC=CC=C9O)F
InChI
InChI=1S/C44H49FN10O5/c45-34-23-29(27-51-17-21-54(22-18-51)38-25-35(48-49-41(38)46)32-3-1-2-4-39(32)56)5-8-36(34)53-13-11-28(12-14-53)26-50-15-19-52(20-16-50)30-6-7-31-33(24-30)44(60)55(43(31)59)37-9-10-40(57)47-42(37)58/h1-8,23-25,28,37,56H,9-22,26-27H2,(H2,46,49)(H,47,57,58)
InChIKey
NKECFXWADFBMPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[4-[[1-[4-[[4-[3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]-2-fluorophenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CAS: 2951015-31-7
CID: 169999675
Formula: C44H49FN10O5
MW: 816.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight816.9
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Exact Mass816.38714286
Monoisotopic Mass816.38714286
Topological Polar Surface Area172 Ų
Heavy Atom Count60
Formal Charge0
Complexity1540
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
T200889-01YDR1

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