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PROTAC SMARCA2 degrader-3

CAT: 0804-HY-162245Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-162245Size:1 Each
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Description
PROTAC SMARCA2 degrader-3 is a PROTAC degrader of the SWI/SNF ATPase subunits, SMARCA2. PROTAC SMARCA2 degrader-3 has anticancer effects (WO2023244764A1; Compound 153) [1].
CAS Number
3024266-69-8
UNSPSC
12352005
Target
Epigenetic Reader Domain; PROTACs
Type
Reference compound
Related Pathways
Epigenetics; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/protac-smarca2-degrader-3.html
Solubility
10 mM in DMSO
Smiles
NC1=C(C=C(C2=CC=CC=C2O)N=N1)C(C=N3)=CN3C(CC4)CCN4[C@@H](CC5)CC[C@@H]5C6=C(OCCN7C8C(NC(CC8)=O)=O)C7=CC=C6
Molecular Formula
C37H42N8O4
Molecular Weight
662.78
References & Citations
[1]Christopher G., et al. Compounds for the targeted degradation of smarca2. WO2023244764A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

PROTAC SMARCA2 degrader-3
CAS Number3024266-69-8
PubChem CID170624522
IUPAC Name3-[8-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexyl]-2,3-dihydro-1,4-benzoxazin-4-yl]piperidine-2,6-dione
Molecular FormulaC37H42N8O4
Molecular Weight662.8
XLogP3.3
Topological Polar Surface Area152
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count49
Formal Charge0
Complexity1150
SMILES
C1CC(CCC1C2=C3C(=CC=C2)N(CCO3)C4CCC(=O)NC4=O)N5CCC(CC5)N6C=C(C=N6)C7=CC(=NN=C7N)C8=CC=CC=C8O
InChI
InChI=1S/C37H42N8O4/c38-36-29(20-30(41-42-36)28-4-1-2-7-33(28)46)24-21-39-45(22-24)26-14-16-43(17-15-26)25-10-8-23(9-11-25)27-5-3-6-31-35(27)49-19-18-44(31)32-12-13-34(47)40-37(32)48/h1-7,20-23,25-26,32,46H,8-19H2,(H2,38,42)(H,40,47,48)
InChIKey
VRUQTXCUBJXEAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SMARCA2 degrader-3
CAS: 3024266-69-8
CID: 170624522
Formula: C37H42N8O4
MW: 662.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight662.8
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass662.33290185
Monoisotopic Mass662.33290185
Topological Polar Surface Area152 Ų
Heavy Atom Count49
Formal Charge0
Complexity1150
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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Alternative Products

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