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PROTAC SMARCA2/4-degrader-31

CAT: 0013-GTR19237532-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237532-01Size:50 mg
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Description
PROTAC SMARCA2/4-degrader-31 (I-280) is a potent, cell-permeable small molecule that induces degradation of the SWI/SNF catalytic subunits SMARCA2 and SMARCA4. It demonstrates DC50 values below 100 nM in cellular models like A549 and MV411 cells, serving as a critical chemical probe for oncology and epigenetics research.
CAS Number
2568273-83-4
Field of Research
Epigenetics & Chromatin, Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C1N (C=2C (=CC (=CC2) [C@@H]3CC[C@H] (CC3) N4CCC (CC4) C=5N=C (C=CN5) N6C7CN (CC6CC7) C=8C=C (N=NC8N) C9=C (O) C=CC=C9) N1C) C%10C (=O) NC (=O) CC%10
Molecular Formula
C44H51N11O4
Molecular Weight
797.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC SMARCA2/4-degrader-29
CAS Number2568273-83-4
PubChem CID155390781
IUPAC Name3-[5-[4-[4-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrimidin-2-yl]piperidin-1-yl]cyclohexyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
Molecular FormulaC44H51N11O4
Molecular Weight797.9
XLogP3.6
Topological Polar Surface Area177
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count59
Formal Charge0
Complexity1510
SMILES
CN1C2=C(C=CC(=C2)C3CCC(CC3)N4CCC(CC4)C5=NC=CC(=N5)N6C7CCC6CN(C7)C8=CC(=NN=C8N)C9=CC=CC=C9O)N(C1=O)C1CCC(=O)NC1=O
InChI
InChI=1S/C44H51N11O4/c1-51-36-22-28(8-13-34(36)55(44(51)59)35-14-15-40(57)48-43(35)58)26-6-9-29(10-7-26)52-20-17-27(18-21-52)42-46-19-16-39(47-42)54-30-11-12-31(54)25-53(24-30)37-23-33(49-50-41(37)45)32-4-2-3-5-38(32)56/h2-5,8,13,16,19,22-23,26-27,29-31,35,56H,6-7,9-12,14-15,17-18,20-21,24-25H2,1H3,(H2,45,50)(H,48,57,58)
InChIKey
PUBFSJSCCCSWBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SMARCA2/4-degrader-29
CAS: 2568273-83-4
CID: 155390781
Formula: C44H51N11O4
MW: 797.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight797.9
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass797.41254915
Monoisotopic Mass797.41254915
Topological Polar Surface Area177 Ų
Heavy Atom Count59
Formal Charge0
Complexity1510
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-162744PROTAC SMARCA2/4-degrader-31
T200853-01PROTAC SMARCA2 degrader-31
T89436-01PROTAC SMARCA2 degrader-4
HY-159455PROTAC SMARCA2/4-degrader-4
HY-159461PROTAC SMARCA2/4-degrader-9
T200532-01PROTAC SMARCA2/4-degrader-2
T89900-01PROTAC SMARCA2/4-degrader-27
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