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UNC8153 TFA

CAT: 0931-T83867-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T83867-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2929304-61-8
Target
Histone Methyltransferase
Related Pathways
Chromatin/Epigenetic
Purity
0.9644
Bioactivity
UNC8153 TFA is a selective and potent NSD2 protein degrader with anticancer activity.UNC8153 TFA induces NSD2 degradation in MM.1S multiple myeloma cells and inhibits the proliferation of MM.1S cells.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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