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UNC8732

CAT: 0804-HY-161796Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-161796Size:1 Each
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Description
UNC8732, a chemical probe, is an NSD2 inhibitor and degrader.
CAS Number
2929304-05-0
UNSPSC
12352005
Target
Molecular Glues
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/unc8732.html
Smiles
O=C(N1)COC2=C1C=CC(C(N(C3CC3)CC4=CC=C(C(NC5=CC=C(CN(C(CCCCCN)=O)CC6)C6=C5)=O)C=C4)=O)=C2
Molecular Formula
C35H39N5O5
Molecular Weight
609.71
References & Citations
[1]Nie DY, et al. Recruitment of FBXO22 for targeted degradation of NSD2. Nat Chem Biol. 2024 Jul 4.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[[4-[[2-(6-aminohexanoyl)-3,4-dihydro-1H-isoquinolin-6-yl]carbamoyl]phenyl]methyl]-N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CAS Number2929304-05-0
PubChem CID169945751
IUPAC NameN-[[4-[[2-(6-aminohexanoyl)-3,4-dihydro-1H-isoquinolin-6-yl]carbamoyl]phenyl]methyl]-N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
Molecular FormulaC35H39N5O5
Molecular Weight609.7
XLogP2.6
Topological Polar Surface Area134
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count45
Formal Charge0
Complexity1060
SMILES
C1CC1N(CC2=CC=C(C=C2)C(=O)NC3=CC4=C(CN(CC4)C(=O)CCCCCN)C=C3)C(=O)C5=CC6=C(C=C5)NC(=O)CO6
InChI
InChI=1S/C35H39N5O5/c36-16-3-1-2-4-33(42)39-17-15-25-18-28(11-9-27(25)21-39)37-34(43)24-7-5-23(6-8-24)20-40(29-12-13-29)35(44)26-10-14-30-31(19-26)45-22-32(41)38-30/h5-11,14,18-19,29H,1-4,12-13,15-17,20-22,36H2,(H,37,43)(H,38,41)
InChIKey
CSTHTJLTORVUST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[[4-[[2-(6-aminohexanoyl)-3,4-dihydro-1H-isoquinolin-6-yl]carbamoyl]phenyl]methyl]-N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CAS: 2929304-05-0
CID: 169945751
Formula: C35H39N5O5
MW: 609.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.7
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass609.29511936
Monoisotopic Mass609.29511936
Topological Polar Surface Area134 Ų
Heavy Atom Count45
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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