Products for Research Use Only

UNC8153 TFA

CAT: 0013-GTR19219855-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219855-05Size:25 mg
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Description
UNC8153 TFA is a potent and selective degrader of the NSD2 protein, demonstrating anti-proliferative activity in MM.1S multiple myeloma cells. This compound serves as a valuable chemical probe for oncology research, particularly in studying epigenetic targets and protein degradation mechanisms in hematological malignancies.
CAS Number
2929304-61-8
Product Name Alternative
HistoneMethyltransferase, Histone Methyltransferase, NSD
Field of Research
Epigenetics & Chromatin, Immunology & Inflammation
Purity
96.44% (May vary between batches)
Solubility
PBS pH 7.2:5 mg/mL (7.17 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (2.87 mM) ; Ethanol:30 mg/mL (43 mM) ; DMSO:30 mg/mL (43 mM) ; H2O:5 mg/mL (7.17 mM) ; DMF:30 mg/mL (43 mM)
Smiles
O=C (O) C (F) (F) F.O=C (NC1=CC=C (C=C1) C (=O) NCCCCCCN) C2=CC=C (C=C2) CN (C (=O) C3=CC=C4NC (=O) COC4=C3) C5CC5
Molecular Formula
C35H38F3N5O7
Molecular Weight
697.7
Storage Conditions
-20°C
Notes
For research use only.

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...
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