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UNC8732

CAT: 0931-T89493-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T89493-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2929304-05-0
Bioactivity
UNC8732 is a Targeted Protein Degradation (TPD) agent. It acts by catalyzing the production of aldehyde metabolites through amine oxidase, which subsequently binds to the C326 of the ubiquitin E3 ligase FBXO22, recruiting the SCFFBXO22 Cullin complex. This recruitment leads to the further degradation of the histone methyltransferase and the oncogene NSD2.
Smiles
O=C(NC1=CC=C2C(=C1)CCN(C(=O)CCCCCN)C2)C3=CC=C(C=C3)CN(C(=O)C4=CC=C5NC(=O)COC5=C4)C6CC6
Molecular Formula
C35H39N5O5
Molecular Weight
609.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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