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PROTAC SMARCA2/4-degrader-33

CAT: 0931-T200608-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T200608-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2568276-36-6
Target
PROTACs
Related Pathways
PROTAC
Bioactivity
PROTAC SMARCA2/4-degrader-33 (compound I-277) functions as a degrader targeting the proteins SMARCA2 and SMARCA4, exhibiting DC50s values of less than 100 nM for the degradation of SMARCA2/4 in A549 cells. After a treatment period of 24 hours, the maximum degradation rates (Dmax%) consistently exceed 90%.
Smiles
NC1=C(N2CC3N(C(C2)CC3)C=4N=CC(=CN4)C5CCN(CC5)[C@H]6CC[C@H](CC6)C=7C=C8C(=CC7)N(C(=O)N8C)C9C(=O)NC(=O)CC9)C=C(N=N1)C%10=C(O)C=CC=C%10
Molecular Formula
C44H51N11O4
Molecular Weight
797.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PROTAC SMARCA2 degrader-17
CAS Number2568276-36-6
PubChem CID155405344
IUPAC Name3-[5-[4-[4-[2-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrimidin-5-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
Complexity1500
SMILES
CN1C2=C(C=CC(=C2)C3CCC(CC3)N4CCC(CC4)C5=CN=C(N=C5)N6C7CCC6CN(C7)C8=CC(=NN=C8N)C9=CC=CC=C9O)N(C1=O)C1CCC(=O)NC1=O
InChI
InChI=1S/C44H51N11O4/c1-51-37-20-28(8-13-35(37)55(44(51)59)36-14-15-40(57)48-42(36)58)26-6-9-30(10-7-26)52-18-16-27(17-19-52)29-22-46-43(47-23-29)54-31-11-12-32(54)25-53(24-31)38-21-34(49-50-41(38)45)33-4-2-3-5-39(33)56/h2-5,8,13,20-23,26-27,30-32,36,56H,6-7,9-12,14-19,24-25H2,1H3,(H2,45,50)(H,48,57,58)
InChIKey
RFWLQOKSXYWDAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SMARCA2 degrader-17
CAS: 2568276-36-6
CID: 155405344
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
Complexity1500
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-162741PROTAC SMARCA2/4-degrader-33
GTR19237905-01PROTAC SMARCA2 degrader-4
HY-159455PROTAC SMARCA2/4-degrader-4
HY-159461PROTAC SMARCA2/4-degrader-9
HY-162744PROTAC SMARCA2/4-degrader-31
HY-159453PROTAC SMARCA2/4-degrader-2
GTR19250386-01PROTAC SMARCA2/4 degrader-36
GTR19239935-01PROTAC SMARCA2/4-degrader-35
GTR19239259-01PROTAC SMARCA2/4-degrader-25
GTR19239176-01PROTAC SMARCA2/4-degrader-28

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