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SMARCA2/4 degrader-1

CAT: 0804-HY-175756Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-175756Size:1 Each
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Description
SMARCA2/4 degrader-1 (Compound 1) is a SMARCA2/4 molecular glue degrader with a DC50 of 2.2 nM for SMARCA4. SMARCA2/4 degrader-1 covalently recruits both CUL4DCAF16 and CRL1FBXO22 to degrade SMARCA2/4[1].
CAS Number
2901804-87-1
UNSPSC
12352005
Target
Epigenetic Reader Domain; Molecular Glues
Related Pathways
Epigenetics; PROTAC
Field of Research
Cancer
Smiles
OC1=CC=CC=C1C2=CC(N3CC4N(C5=CC(C#CCN6CCCCCC6)=NC=C5)C(CC4)C3)=C(N)N=N2
Molecular Formula
C30H35N7O
Molecular Weight
509.65
References & Citations
[1]Spiteri V A, et al. Dual E3 ligase recruitment by monovalent degraders enables redundant and tuneable degradation of SMARCA2/4[J]. bioRxiv, 2025: 2025.08. 04.668513.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-[6-Amino-5-[8-[2-[3-(azepan-1-yl)prop-1-ynyl]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
CAS Number2901804-87-1
PubChem CID167466621
IUPAC Name2-[6-amino-5-[8-[2-[3-(azepan-1-yl)prop-1-ynyl]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
Molecular FormulaC30H35N7O
Molecular Weight509.6
XLogP3.5
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity821
SMILES
C1CCCN(CC1)CC#CC2=NC=CC(=C2)N3C4CCC3CN(C4)C5=CC(=NN=C5N)C6=CC=CC=C6O
InChI
InChI=1S/C30H35N7O/c31-30-28(19-27(33-34-30)26-9-3-4-10-29(26)38)36-20-24-11-12-25(21-36)37(24)23-13-14-32-22(18-23)8-7-17-35-15-5-1-2-6-16-35/h3-4,9-10,13-14,18-19,24-25,38H,1-2,5-6,11-12,15-17,20-21H2,(H2,31,34)
InChIKey
GLSFALNCXYWSSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[6-Amino-5-[8-[2-[3-(azepan-1-yl)prop-1-ynyl]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
CAS: 2901804-87-1
CID: 167466621
Formula: C30H35N7O
MW: 509.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.6
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass509.29030877
Monoisotopic Mass509.29030877
Topological Polar Surface Area94.6 Ų
Heavy Atom Count38
Formal Charge0
Complexity821
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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