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UNC8153 (TFA)

CAT: 0804-HY-157251-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-157251-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UNC8153 TFA is a potent and selective nuclear receptor-binding SET domain-containing 2 (NSD2) -targeted degrader with a Kd of 24 nM. UNC8153 TFA reduces the cellular levels of both NSD2 protein (DC50 in cell U2OS is 0.35 μM) and the H3K36me2 chromatin mark. UNC8153 TFA contains a simple warhead that confers proteasome-dependent degradation of NSD2[1].
CAS Number
2929304-61-8
UNSPSC
12352005
Target
Histone Methyltransferase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/unc8153-tfa.html
Purity
99.92
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 12.5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C(F)(F)F)O.O=C(C1=CC=C(CN(C2CC2)C(C3=CC=C4NC(COC4=C3)=O)=O)C=C1)NC5=CC=C(C(NCCCCCCN)=O)C=C5
Molecular Formula
C35H38F3N5O7
Molecular Weight
697.70
References & Citations
[1]Ronan P Hanley, et al. Discovery of a Potent and Selective Targeted NSD2 Degrader for the Reduction of H3K36me2. J Am Chem Soc. 2023 Apr 12;145 (14) :8176-8188.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

UNC8153 (trifluoroacetate salt)
CAS Number2929304-61-8
PubChem CID169492943
IUPAC NameN-[[4-[[4-(6-aminohexylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]-N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide;2,2,2-trifluoroacetic acid
Molecular FormulaC35H38F3N5O7
Molecular Weight697.7
Topological Polar Surface Area180
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Heavy Atom Count50
Formal Charge0
Complexity1040
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.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C33H37N5O5.C2HF3O2/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;3-2(4,5)1(6)7/h5-13,16,19,27H,1-4,14-15,17-18,20-21,34H2,(H,35,40)(H,36,41)(H,37,39);(H,6,7)
InChIKey
PRNFABQCXAELBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of UNC8153 (trifluoroacetate salt)
CAS: 2929304-61-8
CID: 169492943
Formula: C35H38F3N5O7
MW: 697.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight697.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Exact Mass697.27233305
Monoisotopic Mass697.27233305
Topological Polar Surface Area180 Ų
Heavy Atom Count50
Formal Charge0
Complexity1040
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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