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UNC8153

CAT: 1568-C01766-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01766-5mgSize:5 mg
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CAS Number
2929304-60-7
Target
NSD
Applications
Epigenetics
Molecular Formula
C33H37N5O5
Additionnal Information
UNC8153 is a selective degrader of nuclear receptor-binding SET domain-containing 2 (NSD2) with a binding Kd of 24 nM, effectively reducing NSD2 protein levels and the dimethylate lysine 36 of histone 3 (H3K36me2) chromatin mark. Its simple warhead promotes proteasome-dependent degradation of NSD2 via a novel mechanism.

Chemical Information

N-[[4-[[4-(6-aminohexylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]-N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CAS Number2929304-60-7
PubChem CID168893163
IUPAC NameN-[[4-[[4-(6-aminohexylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]-N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
Molecular FormulaC33H37N5O5
Molecular Weight583.7
XLogP3
Topological Polar Surface Area143
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count43
Formal Charge0
Complexity957
SMILES
C1CC1N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NCCCCCCN)C(=O)C4=CC5=C(C=C4)NC(=O)CO5
InChI
InChI=1S/C33H37N5O5/c34-17-3-1-2-4-18-35-31(40)23-9-12-26(13-10-23)36-32(41)24-7-5-22(6-8-24)20-38(27-14-15-27)33(42)25-11-16-28-29(19-25)43-21-30(39)37-28/h5-13,16,19,27H,1-4,14-15,17-18,20-21,34H2,(H,35,40)(H,36,41)(H,37,39)
InChIKey
MDIKJIFCQAJLPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[[4-[[4-(6-aminohexylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]-N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CAS: 2929304-60-7
CID: 168893163
Formula: C33H37N5O5
MW: 583.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight583.7
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass583.27946930
Monoisotopic Mass583.27946930
Topological Polar Surface Area143 Ų
Heavy Atom Count43
Formal Charge0
Complexity957
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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HY-157251-01UNC8153 (TFA)

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