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UNC 8732

CAT: 0931-T87964-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T87964-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2929304-06-1
Target
Histone Methyltransferase, Molecular Glues
Related Pathways
PROTAC, Chromatin/Epigenetic
Bioactivity
UNC 8732 functions as a potent NSD2 degrader with a DC50 of 60 nM.
Smiles
O=C(O)C(F)(F)F.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.CF3CO2H
Molecular Weight
723.75
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Unc8732 (tfa)
CAS Number2929304-06-1
PubChem CID172005927
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;2,2,2-trifluoroacetic acid
Molecular FormulaC37H40F3N5O7
Molecular Weight723.7
Topological Polar Surface Area171
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count52
Formal Charge0
Complexity1140
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.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C35H39N5O5.C2HF3O2/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;3-2(4,5)1(6)7/h5-11,14,18-19,29H,1-4,12-13,15-17,20-22,36H2,(H,37,43)(H,38,41);(H,6,7)
InChIKey
HFQMCVDNCFEJSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Unc8732 (tfa)
CAS: 2929304-06-1
CID: 172005927
Formula: C37H40F3N5O7
MW: 723.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight723.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass723.28798312
Monoisotopic Mass723.28798312
Topological Polar Surface Area171 Ų
Heavy Atom Count52
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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